1-(difluoromethyl)-2H-pyridine-6-carboxylic acid

C7H7F2NO2 — CID 118693997

IUPAC1-(difluoromethyl)-2H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=CC=CCN1C(F)F
InChIInChI=1S/C7H7F2NO2/c8-7(9)10-4-2-1-3-5(10)6(11)12/h1-3,7H,4H2,(H,11,12)
InChIKeyFANYHBUUZMRKMC-UHFFFAOYSA-N
MW175.13 g/mol
LogP1.05
Rot. Bonds2

About 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid

1-(difluoromethyl)-2H-pyridine-6-carboxylic acid (PubChem CID 118693997) has the molecular formula C7H7F2NO2 and a molecular weight of 175.13 g/mol. Its IUPAC name is 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(difluoromethyl)-2H-pyridine-6-carboxylic acid
PubChem CID118693997
Molecular FormulaC7H7F2NO2
Molecular Weight175.13 g/mol
Exact Mass175.04
IUPAC Name1-(difluoromethyl)-2H-pyridine-6-carboxylic acid
SMILESO=C(O)C1=CC=CCN1C(F)F
InChIInChI=1S/C7H7F2NO2/c8-7(9)10-4-2-1-3-5(10)6(11)12/h1-3,7H,4H2,(H,11,12)
InChIKeyFANYHBUUZMRKMC-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.13
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid?
The IUPAC name of 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid (CID 118693997) is 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid?
The canonical SMILES for 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid is O=C(O)C1=CC=CCN1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid?
The InChIKey is FANYHBUUZMRKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2/c8-7(9)10-4-2-1-3-5(10)6(11)12/h1-3,7H,4H2,(H,11,12).
What are the key properties of 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid?
1-(difluoromethyl)-2H-pyridine-6-carboxylic acid has a molecular weight of 175.13 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2H-pyridine-6-carboxylic acid is sourced from PubChem (CID 118693997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).