5-Methylpyridine-2-carboxylic Acid 5-甲基-2-甲酸吡啶

CAS 4434-13-3 MFCD01704358

化学结构图

4434-13-3
SMILES: Cc1ccc(C(=O)O)nc1

化学属性

Mol. FormulaC7H7NO2
Mol. Weight137
Melting Point>300°
Density1.422

别名和识别编码

Chemical Name5-Methylpyridine-2-carboxylic Acid
CAS Number4434-13-3
Alfabeta NameMETHYLPYRIDINECARBOXYLICACID 52---
MDL NumberMFCD01704358
EC Number250-023-7
Beilstein Registry Number0112043
Synonym 2-Pyridinecarboxylic acid, 5-methyl- 5-Methyl-2-pyridinecarboxylic acid 5-Methylpicolinic acid 5-methylpicolinic acid 5-甲基吡啶-2-羧酸
Chemical Name Translation5-甲基-2-甲酸吡啶
Wiswesser Line NotationT6NJ BVQ E1
InChIKeyHWMYXZFRJDEBKC-UHFFFAOYSA-N
LabNetwork Molecule IDLN00003122
PubChem Substance ID329789719
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分类

  • {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks, Pyridines
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
RTECSTJ7556000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 175 mg/kg
TOXIC EFFECTS :
   Biochemical - Enzyme inhibition, induction, or change in blood or tissue
   levels - other Enzymes
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 17,2377,1969

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类

  1. C7 to C8 - Pyridines

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