4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid

C8H7F2NO2 — CID 118846293

IUPAC4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)cc(C(=O)O)n1
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(7(9)10)3-6(11-4)8(12)13/h2-3,7H,1H3,(H,12,13)
InChIKeyHSOSLOZORRYFFB-UHFFFAOYSA-N
MW187.15 g/mol
LogP2.03
Rot. Bonds2

About 4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid

4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid (PubChem CID 118846293) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
PubChem CID118846293
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(F)F)cc(C(=O)O)n1
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(7(9)10)3-6(11-4)8(12)13/h2-3,7H,1H3,(H,12,13)
InChIKeyHSOSLOZORRYFFB-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-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 118854402
4-(1-hydroxyethyl)pyridine-2,6-dicarboxylic acid
CID 138674000
4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
CID 118846863
2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555002
6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid
CID 58418036
6-methyl-2-(2,2,3,3-tetrafluoropropylamino)pyrimidine-4-carboxylic acid
CID 106295667
[4-(difluoromethyl)-6-methyl-2-pyridinyl]methanamine
CID 130097545
4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118846473
5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid
CID 130087971
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid
CID 130656006

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid (CID 118846293) is 4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid is Cc1cc(C(F)F)cc(C(=O)O)n1.
What is the InChIKey of 4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
The InChIKey is HSOSLOZORRYFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-2-5(7(9)10)3-6(11-4)8(12)13/h2-3,7H,1H3,(H,12,13).
What are the key properties of 4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
4-(difluoromethyl)-6-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)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 118846293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).