6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide

C13H10ClFN2O — CID 24903422

IUPAC6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClFN2O/c14-12-5-4-10(8-16-12)13(18)17-7-9-2-1-3-11(15)6-9/h1-6,8H,7H2,(H,17,18)
InChIKeyFLCOZGGCASSEJJ-UHFFFAOYSA-N
MW264.69 g/mol
LogP2.80
Rot. Bonds3

About 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide

6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 24903422) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID24903422
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClFN2O/c14-12-5-4-10(8-16-12)13(18)17-7-9-2-1-3-11(15)6-9/h1-6,8H,7H2,(H,17,18)
InChIKeyFLCOZGGCASSEJJ-UHFFFAOYSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 52.80
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

N-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62243829
6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 24903449
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367
6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 46456887
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide (CID 24903422) is 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1cccc(F)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FLCOZGGCASSEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-12-5-4-10(8-16-12)13(18)17-7-9-2-1-3-11(15)6-9/h1-6,8H,7H2,(H,17,18).
What are the key properties of 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide?
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 264.69 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24903422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).