6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid

C9H9F2NO3 — CID 130087967

IUPAC6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)cc(C(F)F)nc1C
InChIInChI=1S/C9H9F2NO3/c1-4-7(15-2)5(9(13)14)3-6(12-4)8(10)11/h3,8H,1-2H3,(H,13,14)
InChIKeySPGDRMIXOORTCF-UHFFFAOYSA-N
MW217.17 g/mol
LogP2.03
Rot. Bonds3

About 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid

6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid (PubChem CID 130087967) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
PubChem CID130087967
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)cc(C(F)F)nc1C
InChIInChI=1S/C9H9F2NO3/c1-4-7(15-2)5(9(13)14)3-6(12-4)8(10)11/h3,8H,1-2H3,(H,13,14)
InChIKeySPGDRMIXOORTCF-UHFFFAOYSA-N
XLogP2.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119013170
6-(difluoromethyl)-4-fluoro-3-methoxypyridine-2-carboxylic acid
CID 130080785
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
6-(difluoromethyl)-2-fluoro-3-methoxypyridine-4-carbonyl chloride
CID 133105714
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-sulfonamide
CID 133098978
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid
CID 133099700
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid (CID 130087967) is 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid is COc1c(C(=O)O)cc(C(F)F)nc1C.
What is the InChIKey of 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid?
The InChIKey is SPGDRMIXOORTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-4-7(15-2)5(9(13)14)3-6(12-4)8(10)11/h3,8H,1-2H3,(H,13,14).
What are the key properties of 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid?
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid has a molecular weight of 217.17 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 130087967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).