6-fluoropyridine-2-carboxamide

C6H5FN2O — CID 2769395

IUPAC6-fluoropyridine-2-carboxamide
SMILESNC(=O)c1cccc(F)n1
InChIInChI=1S/C6H5FN2O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,8,10)
InChIKeyIKRHXEUDAFUUKD-UHFFFAOYSA-N
MW140.12 g/mol
LogP0.32
Rot. Bonds1

About 6-fluoropyridine-2-carboxamide

6-fluoropyridine-2-carboxamide (PubChem CID 2769395) has the molecular formula C6H5FN2O and a molecular weight of 140.12 g/mol. Its IUPAC name is 6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoropyridine-2-carboxamide
PubChem CID2769395
Molecular FormulaC6H5FN2O
Molecular Weight140.12 g/mol
Exact Mass140.04
IUPAC Name6-fluoropyridine-2-carboxamide
SMILESNC(=O)c1cccc(F)n1
InChIInChI=1S/C6H5FN2O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,8,10)
InChIKeyIKRHXEUDAFUUKD-UHFFFAOYSA-N
XLogP0.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 50.32
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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Frequently Asked Questions

What is the IUPAC name of 6-fluoropyridine-2-carboxamide?
The IUPAC name of 6-fluoropyridine-2-carboxamide (CID 2769395) is 6-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-fluoropyridine-2-carboxamide is NC(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoropyridine-2-carboxamide?
The InChIKey is IKRHXEUDAFUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O/c7-5-3-1-2-4(9-5)6(8)10/h1-3H,(H2,8,10).
What are the key properties of 6-fluoropyridine-2-carboxamide?
6-fluoropyridine-2-carboxamide has a molecular weight of 140.12 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 2769395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).