4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide

C13H9ClF2N2O — CID 81226309

IUPAC4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cnccc1Cl
InChIInChI=1S/C13H9ClF2N2O/c14-11-3-4-17-7-10(11)13(19)18-6-8-1-2-9(15)5-12(8)16/h1-5,7H,6H2,(H,18,19)
InChIKeyVKXNYYFDQFNXEK-UHFFFAOYSA-N
MW282.68 g/mol
LogP2.94
Rot. Bonds3

About 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide

4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 81226309) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID81226309
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cnccc1Cl
InChIInChI=1S/C13H9ClF2N2O/c14-11-3-4-17-7-10(11)13(19)18-6-8-1-2-9(15)5-12(8)16/h1-5,7H,6H2,(H,18,19)
InChIKeyVKXNYYFDQFNXEK-UHFFFAOYSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
N-[(2,5-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115646128
4-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81244539
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
3-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 103985523
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 53123619
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
CID 81233279
4-chloro-N-[(2,5-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81227233
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81239765

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide (CID 81226309) is 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1F)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is VKXNYYFDQFNXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-11-3-4-17-7-10(11)13(19)18-6-8-1-2-9(15)5-12(8)16/h1-5,7H,6H2,(H,18,19).
What are the key properties of 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide?
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 282.68 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81226309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).