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

C7H4F3NO2 — CID 130096479

IUPAC5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)c(F)n1
InChIInChI=1S/C7H4F3NO2/c8-5(9)3-1-2-4(7(12)13)11-6(3)10/h1-2,5H,(H,12,13)
InChIKeyPAQBJZPXYMAGDZ-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.86
Rot. Bonds2

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

5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid (PubChem CID 130096479) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
PubChem CID130096479
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)c(F)n1
InChIInChI=1S/C7H4F3NO2/c8-5(9)3-1-2-4(7(12)13)11-6(3)10/h1-2,5H,(H,12,13)
InChIKeyPAQBJZPXYMAGDZ-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

6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119013778
5,6-difluoropyridine-2-carboxylic acid
CID 11469221
2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130096523
4-(difluoromethyl)-6-fluoro-5-methylpyridine-2-carboxylic acid
CID 118846863
5-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130082308
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
6-amino-5-(difluoromethyl)pyridine-2-carboxamide
CID 119001621
2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
CID 119000090
6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 133089695
6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
CID 118809026
4-(difluoromethyl)-5,6-difluoropyridine-2-carboxamide
CID 119022721
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134675155

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid (CID 130096479) is 5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid is O=C(O)c1ccc(C(F)F)c(F)n1.
What is the InChIKey of 5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid?
The InChIKey is PAQBJZPXYMAGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-5(9)3-1-2-4(7(12)13)11-6(3)10/h1-2,5H,(H,12,13).
What are the key properties of 5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid?
5-(difluoromethyl)-6-fluoropyridine-2-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 5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 130096479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).