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

C13H9Cl2FN2O — CID 66484344

IUPAC3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccncc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-10-5-8(1-2-12(10)16)6-18-13(19)9-3-4-17-7-11(9)15/h1-5,7H,6H2,(H,18,19)
InChIKeyQIFVNMMCNKLFEJ-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.46
Rot. Bonds3

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

3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide (PubChem CID 66484344) has the molecular formula C13H9Cl2FN2O and a molecular weight of 299.13 g/mol. Its IUPAC name is 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
PubChem CID66484344
Molecular FormulaC13H9Cl2FN2O
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccncc1Cl
InChIInChI=1S/C13H9Cl2FN2O/c14-10-5-8(1-2-12(10)16)6-18-13(19)9-3-4-17-7-11(9)15/h1-5,7H,6H2,(H,18,19)
InChIKeyQIFVNMMCNKLFEJ-UHFFFAOYSA-N
XLogP3.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.46
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
N-[(3-chloro-4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81240302
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
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
CID 105062327
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
N-[(4-carbamothioylphenyl)methyl]-3-chloropyridine-4-carboxamide
CID 66462420
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide (CID 66484344) is 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is QIFVNMMCNKLFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2O/c14-10-5-8(1-2-12(10)16)6-18-13(19)9-3-4-17-7-11(9)15/h1-5,7H,6H2,(H,18,19).
What are the key properties of 3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 3.46, 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-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 66484344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).