4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid

C8H7F2NO2 — CID 118852266

IUPAC4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1C(F)F
InChIInChI=1S/C8H7F2NO2/c1-4-3-11-6(8(12)13)2-5(4)7(9)10/h2-3,7H,1H3,(H,12,13)
InChIKeyVUPYUZCGMXDQOT-UHFFFAOYSA-N
MW187.15 g/mol
LogP2.03
Rot. Bonds2

About 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid

4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid (PubChem CID 118852266) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
PubChem CID118852266
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1C(F)F
InChIInChI=1S/C8H7F2NO2/c1-4-3-11-6(8(12)13)2-5(4)7(9)10/h2-3,7H,1H3,(H,12,13)
InChIKeyVUPYUZCGMXDQOT-UHFFFAOYSA-N
XLogP2.03
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095227
5-methylpyridine-2,4-dicarboxylic acid;hydrochloride
CID 156874397
4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
CID 118846863
CID 67026980
CID 67026980
2-bromo-4-(difluoromethyl)-5-methylpyridine
CID 130095038
4-(difluoromethyl)-5-iodo-6-methoxypyridine-2-carboxylic acid
CID 118818405
4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118846473
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 124706094
5-[3-(difluoromethyl)-4-methylphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117419287
5-ethynyl-4-methylpyridine-2-carboxylic acid
CID 74888658
4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
CID 118828805

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid (CID 118852266) is 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid is Cc1cnc(C(=O)O)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid?
The InChIKey is VUPYUZCGMXDQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-3-11-6(8(12)13)2-5(4)7(9)10/h2-3,7H,1H3,(H,12,13).
What are the key properties of 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid?
4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid has a molecular weight of 187.15 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 118852266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).