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

C9H9F2NO3 — CID 118815170

IUPAC2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(C)c(C(F)F)n1
InChIInChI=1S/C9H9F2NO3/c1-4-5(9(13)14)3-6(15-2)12-7(4)8(10)11/h3,8H,1-2H3,(H,13,14)
InChIKeyDJUKEPDTGKLWEE-UHFFFAOYSA-N
MW217.17 g/mol
LogP2.03
Rot. Bonds3

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

2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid (PubChem CID 118815170) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid
PubChem CID118815170
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c(C)c(C(F)F)n1
InChIInChI=1S/C9H9F2NO3/c1-4-5(9(13)14)3-6(15-2)12-7(4)8(10)11/h3,8H,1-2H3,(H,13,14)
InChIKeyDJUKEPDTGKLWEE-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

2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid
CID 118809146
methyl 2-(difluoromethyl)-3-hydroxy-6-methoxypyridine-4-carboxylate
CID 133103210
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxamide
CID 118803355
ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate
CID 133085086
2-(difluoromethyl)-3-iodo-6-methoxypyridine-4-carboxamide
CID 118837244
2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid
CID 134676666
2-(difluoromethyl)-4,6-dimethoxypyridine-3-carboxamide
CID 118809246
[2-(difluoromethyl)-6-methoxy-4-methyl-3-pyridinyl]methanol
CID 118820631
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-carboxylic acid
CID 130087967
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
4-(difluoromethyl)-2-(6-methoxypyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 102952603
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134675839

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid (CID 118815170) is 2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid is COc1cc(C(=O)O)c(C)c(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid?
The InChIKey is DJUKEPDTGKLWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-4-5(9(13)14)3-6(15-2)12-7(4)8(10)11/h3,8H,1-2H3,(H,13,14).
What are the key properties of 2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid?
2-(difluoromethyl)-6-methoxy-3-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 2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 118815170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).