N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C13H10ClFN2O2 — CID 46921250

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H10ClFN2O2/c14-10-5-8(1-3-11(10)15)6-17-13(19)9-2-4-12(18)16-7-9/h1-5,7H,6H2,(H,16,18)(H,17,19)
InChIKeyAQJLITHIJHZTDJ-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.10
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 46921250) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID46921250
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H10ClFN2O2/c14-10-5-8(1-3-11(10)15)6-17-13(19)9-2-4-12(18)16-7-9/h1-5,7H,6H2,(H,16,18)(H,17,19)
InChIKeyAQJLITHIJHZTDJ-UHFFFAOYSA-N
XLogP2.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652
N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040983
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 46921250) is N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AQJLITHIJHZTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-10-5-8(1-3-11(10)15)6-17-13(19)9-2-4-12(18)16-7-9/h1-5,7H,6H2,(H,16,18)(H,17,19).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 280.69 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46921250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).