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

C8H7F2NO2 — CID 118854402

IUPAC2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(C(F)F)n1
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(8(12)13)3-6(11-4)7(9)10/h2-3,7H,1H3,(H,12,13)
InChIKeyQNTICSPRQITLBP-UHFFFAOYSA-N
MW187.15 g/mol
LogP2.03
Rot. Bonds2

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

2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid (PubChem CID 118854402) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
PubChem CID118854402
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(C(F)F)n1
InChIInChI=1S/C8H7F2NO2/c1-4-2-5(8(12)13)3-6(11-4)7(9)10/h2-3,7H,1H3,(H,12,13)
InChIKeyQNTICSPRQITLBP-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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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid (CID 118854402) is 2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid?
The InChIKey is QNTICSPRQITLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-4-2-5(8(12)13)3-6(11-4)7(9)10/h2-3,7H,1H3,(H,12,13).
What are the key properties of 2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid?
2-(difluoromethyl)-6-methylpyridine-4-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 2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 118854402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).