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

C13H9ClF2N2O — CID 81227434

IUPAC4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cnccc1Cl
InChIInChI=1S/C13H9ClF2N2O/c14-10-3-4-17-7-9(10)13(19)18-6-8-1-2-11(15)12(16)5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyZHVISEKBLPGBGZ-UHFFFAOYSA-N
MW282.68 g/mol
LogP2.94
Rot. Bonds3

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

4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 81227434) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID81227434
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cnccc1Cl
InChIInChI=1S/C13H9ClF2N2O/c14-10-3-4-17-7-9(10)13(19)18-6-8-1-2-11(15)12(16)5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyZHVISEKBLPGBGZ-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

3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693
4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 81225012
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091
2-chloro-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 86669516
N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924303
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824244

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide (CID 81227434) is 4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZHVISEKBLPGBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-10-3-4-17-7-9(10)13(19)18-6-8-1-2-11(15)12(16)5-8/h1-5,7H,6H2,(H,18,19).
What are the key properties of 4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide?
4-chloro-N-[(3,4-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-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81227434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).