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

C7H4F3NO2 — CID 118815134

IUPAC2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(F)nc1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-4-2-1-3(7(12)13)5(11-4)6(9)10/h1-2,6H,(H,12,13)
InChIKeyFIXDPTABBQULIA-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.86
Rot. Bonds2

About 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid

2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid (PubChem CID 118815134) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
PubChem CID118815134
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(F)nc1C(F)F
InChIInChI=1S/C7H4F3NO2/c8-4-2-1-3(7(12)13)5(11-4)6(9)10/h1-2,6H,(H,12,13)
InChIKeyFIXDPTABBQULIA-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-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130098199
2-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylic acid
CID 118837565
5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 130081975
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane
CID 159262243
6-amino-2-(difluoromethyl)-3-fluoropyridine-4-carboxylic acid
CID 130104246
4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62892836
3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
CID 130105526
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565
4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
CID 62891095
4-(difluoromethyl)-2-(3,5-difluorophenyl)pyrimidine-5-carboxylic acid
CID 62890565
5-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylic acid
CID 130076275

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid (CID 118815134) is 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid is O=C(O)c1ccc(F)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
The InChIKey is FIXDPTABBQULIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-4-2-1-3(7(12)13)5(11-4)6(9)10/h1-2,6H,(H,12,13).
What are the key properties of 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid?
2-(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 2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 118815134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).