2-fluoro-3H-pyridine-2-carboxamide

C6H7FN2O — CID 118864512

IUPAC2-fluoro-3H-pyridine-2-carboxamide
SMILESNC(=O)C1(F)CC=CC=N1
InChIInChI=1S/C6H7FN2O/c7-6(5(8)10)3-1-2-4-9-6/h1-2,4H,3H2,(H2,8,10)
InChIKeyXVWPVXADESBOMX-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.17
Rot. Bonds1

About 2-fluoro-3H-pyridine-2-carboxamide

2-fluoro-3H-pyridine-2-carboxamide (PubChem CID 118864512) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 2-fluoro-3H-pyridine-2-carboxamide.

Molecular Properties

Compound Name2-fluoro-3H-pyridine-2-carboxamide
PubChem CID118864512
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name2-fluoro-3H-pyridine-2-carboxamide
SMILESNC(=O)C1(F)CC=CC=N1
InChIInChI=1S/C6H7FN2O/c7-6(5(8)10)3-1-2-4-9-6/h1-2,4H,3H2,(H2,8,10)
InChIKeyXVWPVXADESBOMX-UHFFFAOYSA-N
XLogP0.17
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.17
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 2-fluoro-3H-pyridine-2-carboxamide?
The IUPAC name of 2-fluoro-3H-pyridine-2-carboxamide (CID 118864512) is 2-fluoro-3H-pyridine-2-carboxamide.
What is the SMILES notation for 2-fluoro-3H-pyridine-2-carboxamide?
The canonical SMILES for 2-fluoro-3H-pyridine-2-carboxamide is NC(=O)C1(F)CC=CC=N1.
What is the InChIKey of 2-fluoro-3H-pyridine-2-carboxamide?
The InChIKey is XVWPVXADESBOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c7-6(5(8)10)3-1-2-4-9-6/h1-2,4H,3H2,(H2,8,10).
What are the key properties of 2-fluoro-3H-pyridine-2-carboxamide?
2-fluoro-3H-pyridine-2-carboxamide has a molecular weight of 142.13 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3H-pyridine-2-carboxamide is sourced from PubChem (CID 118864512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).