2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide

C13H10F2N2O — CID 114037685

IUPAC2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1F)c1cccc(F)c1
InChIInChI=1S/C13H10F2N2O/c1-17(10-5-2-4-9(14)8-10)13(18)11-6-3-7-16-12(11)15/h2-8H,1H3
InChIKeyAPGYQPZWECKMEY-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.64
Rot. Bonds2

About 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide

2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide (PubChem CID 114037685) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
PubChem CID114037685
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1F)c1cccc(F)c1
InChIInChI=1S/C13H10F2N2O/c1-17(10-5-2-4-9(14)8-10)13(18)11-6-3-7-16-12(11)15/h2-8H,1H3
InChIKeyAPGYQPZWECKMEY-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-chloro-N-(3-fluorophenyl)-N-methylbenzamide
CID 112575829
2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
CID 81003545
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616
N-(3-fluorophenyl)-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248954
2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
CID 115703339
4-cyano-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116825
4-(aminomethyl)-N-(3-fluorophenyl)-N-methylpyridine-2-carboxamide
CID 115116999
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220
2-amino-N-(3,5-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 62161798
3-benzoyl-N-(3-fluorophenyl)-N-methylbenzamide
CID 18545673

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide (CID 114037685) is 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide is CN(C(=O)c1cccnc1F)c1cccc(F)c1.
What is the InChIKey of 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is APGYQPZWECKMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c1-17(10-5-2-4-9(14)8-10)13(18)11-6-3-7-16-12(11)15/h2-8H,1H3.
What are the key properties of 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide?
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide has a molecular weight of 248.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 114037685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).