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

C13H9ClF2N2O — CID 66482974

IUPAC3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccncc1Cl
InChIInChI=1S/C13H9ClF2N2O/c14-10-7-17-4-3-9(10)13(19)18-6-8-1-2-11(15)12(16)5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyBBQWKHIHMDOBCF-UHFFFAOYSA-N
MW282.68 g/mol
LogP2.94
Rot. Bonds3

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

3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 66482974) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID66482974
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccncc1Cl
InChIInChI=1S/C13H9ClF2N2O/c14-10-7-17-4-3-9(10)13(19)18-6-8-1-2-11(15)12(16)5-8/h1-5,7H,6H2,(H,18,19)
InChIKeyBBQWKHIHMDOBCF-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-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
CID 66482036
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
CID 105062327
N-[(4-carbamothioylphenyl)methyl]-3-chloropyridine-4-carboxamide
CID 66462420
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 66483932
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide (CID 66482974) is 3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is BBQWKHIHMDOBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-10-7-17-4-3-9(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 3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-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 3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66482974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).