4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid

C8H7F2NO3 — CID 130097491

IUPAC4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(F)F)c(C(=O)O)cn1
InChIInChI=1S/C8H7F2NO3/c1-14-6-2-4(7(9)10)5(3-11-6)8(12)13/h2-3,7H,1H3,(H,12,13)
InChIKeyFHTMCDFOHROKRM-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.73
Rot. Bonds3

About 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid

4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid (PubChem CID 130097491) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
PubChem CID130097491
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
SMILESCOc1cc(C(F)F)c(C(=O)O)cn1
InChIInChI=1S/C8H7F2NO3/c1-14-6-2-4(7(9)10)5(3-11-6)8(12)13/h2-3,7H,1H3,(H,12,13)
InChIKeyFHTMCDFOHROKRM-UHFFFAOYSA-N
XLogP1.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118846246
2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid
CID 130560472
4-(difluoromethyl)-2-(6-methoxypyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 102952603
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930
4-chloro-5-(difluoromethyl)-2-methoxypyridine
CID 118822541
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-4-carboxylic acid
CID 44558094
4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118834996
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid (CID 130097491) is 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid is COc1cc(C(F)F)c(C(=O)O)cn1.
What is the InChIKey of 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid?
The InChIKey is FHTMCDFOHROKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-6-2-4(7(9)10)5(3-11-6)8(12)13/h2-3,7H,1H3,(H,12,13).
What are the key properties of 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid?
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid has a molecular weight of 203.14 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 130097491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).