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

C7H4F3NO2 — CID 118846246

IUPAC4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(F)cc1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-5-1-3(6(9)10)4(2-11-5)7(12)13/h1-2,6H,(H,12,13)
InChIKeyPYXXLQCGIVYJJS-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.86
Rot. Bonds2

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

4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid (PubChem CID 118846246) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
PubChem CID118846246
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(F)cc1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-5-1-3(6(9)10)4(2-11-5)7(12)13/h1-2,6H,(H,12,13)
InChIKeyPYXXLQCGIVYJJS-UHFFFAOYSA-N
XLogP1.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
5-bromo-4-(difluoromethyl)-2-fluoropyridine
CID 130095003
5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 130096481
4-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 119084985
2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 118809173
5-(difluoromethyl)-2-fluoropyridine-4-sulfonyl chloride
CID 130096580
4-bromo-5-(difluoromethyl)-2-fluoropyridine
CID 118839444
4-(difluoromethyl)-2-fluoro-5-nitropyridine
CID 130096275
copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)
CID 59303577
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
CID 118828922

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid (CID 118846246) is 4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid is O=C(O)c1cnc(F)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The InChIKey is PYXXLQCGIVYJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-5-1-3(6(9)10)4(2-11-5)7(12)13/h1-2,6H,(H,12,13).
What are the key properties of 4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid has a molecular weight of 191.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 118846246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).