3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid

C9H8ClNO4 — CID 162377384

IUPAC3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(Cl)c(C(=O)O)nc1C
InChIInChI=1S/C9H8ClNO4/c1-4-5(9(14)15-2)3-6(10)7(11-4)8(12)13/h3H,1-2H3,(H,12,13)
InChIKeySHNJWQSCPQPARG-UHFFFAOYSA-N
MW229.62 g/mol
LogP1.53
Rot. Bonds2

About 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid

3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid (PubChem CID 162377384) has the molecular formula C9H8ClNO4 and a molecular weight of 229.62 g/mol. Its IUPAC name is 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
PubChem CID162377384
Molecular FormulaC9H8ClNO4
Molecular Weight229.62 g/mol
Exact Mass229.01
IUPAC Name3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
SMILESCOC(=O)c1cc(Cl)c(C(=O)O)nc1C
InChIInChI=1S/C9H8ClNO4/c1-4-5(9(14)15-2)3-6(10)7(11-4)8(12)13/h3H,1-2H3,(H,12,13)
InChIKeySHNJWQSCPQPARG-UHFFFAOYSA-N
XLogP1.53
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.62
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377368
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
3-chloro-5-fluoro-6-methylpyridine-2-carboxylic acid
CID 142574349
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 5,8-dichloro-2-methylquinoline-4-carboxylate
CID 82574673
methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
CID 135240587
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
4,5-dichloro-2-methoxycarbonylbenzoate
CID 71345963
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
5,6-dichloro-N-methoxy-2-methylpyridine-3-carboxamide
CID 130565231
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
2-chloro-5-methylpyridine-3-carboxylic acid;methyl 2-chloro-5-methylpyridine-3-carboxylate
CID 159563322

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid (CID 162377384) is 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid is COC(=O)c1cc(Cl)c(C(=O)O)nc1C.
What is the InChIKey of 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid?
The InChIKey is SHNJWQSCPQPARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4/c1-4-5(9(14)15-2)3-6(10)7(11-4)8(12)13/h3H,1-2H3,(H,12,13).
What are the key properties of 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid?
3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid has a molecular weight of 229.62 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 162377384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).