6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid

C8H7F2NO3 — CID 118848595

IUPAC6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-14-5-3-2-4(8(12)13)11-6(5)7(9)10/h2-3,7H,1H3,(H,12,13)
InChIKeyQTAVQDBLLPAZDY-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.73
Rot. Bonds3

About 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid

6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid (PubChem CID 118848595) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
PubChem CID118848595
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1C(F)F
InChIInChI=1S/C8H7F2NO3/c1-14-5-3-2-4(8(12)13)11-6(5)7(9)10/h2-3,7H,1H3,(H,12,13)
InChIKeyQTAVQDBLLPAZDY-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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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid (CID 118848595) is 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid is COc1ccc(C(=O)O)nc1C(F)F.
What is the InChIKey of 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid?
The InChIKey is QTAVQDBLLPAZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-5-3-2-4(8(12)13)11-6(5)7(9)10/h2-3,7H,1H3,(H,12,13).
What are the key properties of 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid?
6-(difluoromethyl)-5-methoxypyridine-2-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 6-(difluoromethyl)-5-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 118848595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).