1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one

C13H13ClN2O — CID 102663276

IUPAC1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one
SMILESNCc1ccc(Cn2ccc(=O)cc2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O/c14-13-7-10(8-15)1-2-11(13)9-16-5-3-12(17)4-6-16/h1-7H,8-9,15H2
InChIKeyGAKGSQPQZVDXCK-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.01
Rot. Bonds3

About 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one

1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one (PubChem CID 102663276) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one
PubChem CID102663276
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one
SMILESNCc1ccc(Cn2ccc(=O)cc2)c(Cl)c1
InChIInChI=1S/C13H13ClN2O/c14-13-7-10(8-15)1-2-11(13)9-16-5-3-12(17)4-6-16/h1-7H,8-9,15H2
InChIKeyGAKGSQPQZVDXCK-UHFFFAOYSA-N
XLogP2.01
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3-methylpyridin-2-one
CID 102663284
3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione
CID 102663211
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]pyridin-4-one
CID 64763549
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 102663327
[3-chloro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662772
4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-3,3-dimethylpiperazin-2-one
CID 102662978
4-[[4-(aminomethyl)-2-chlorophenyl]methyl]-1,3,3-trimethylpiperazin-2-one
CID 102663048
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
[3-chloro-4-[(4-iodopyrazol-1-yl)methyl]phenyl]methanamine
CID 102663301
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide
CID 102663306

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one?
The IUPAC name of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one (CID 102663276) is 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one?
The canonical SMILES for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one is NCc1ccc(Cn2ccc(=O)cc2)c(Cl)c1.
What is the InChIKey of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one?
The InChIKey is GAKGSQPQZVDXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-13-7-10(8-15)1-2-11(13)9-16-5-3-12(17)4-6-16/h1-7H,8-9,15H2.
What are the key properties of 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one?
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one has a molecular weight of 248.71 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyridin-4-one is sourced from PubChem (CID 102663276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).