1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one

C13H13ClN2O — CID 82032049

IUPAC1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one
SMILESNCc1ccc(Cn2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C13H13ClN2O/c14-12-5-6-13(17)16(9-12)8-11-3-1-10(7-15)2-4-11/h1-6,9H,7-8,15H2
InChIKeyUNAGKOVXMKSHPB-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.01
Rot. Bonds3

About 1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one

1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one (PubChem CID 82032049) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one
PubChem CID82032049
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one
SMILESNCc1ccc(Cn2cc(Cl)ccc2=O)cc1
InChIInChI=1S/C13H13ClN2O/c14-12-5-6-13(17)16(9-12)8-11-3-1-10(7-15)2-4-11/h1-6,9H,7-8,15H2
InChIKeyUNAGKOVXMKSHPB-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

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Related Compounds

1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one
CID 82032086
5-chloro-1-[(4-propylphenyl)methyl]pyridin-2-one
CID 130178574
1-[(4-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]pyridin-2-one
CID 69440465
1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one
CID 94758177
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279493
5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one
CID 82505902
1,5-dibenzylpyridin-2-one
CID 24938871
1-[(4-chlorophenyl)methyl]-5-(5-methylthiophen-2-yl)pyridin-2-one
CID 69441224
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
3-[[4-(aminomethyl)phenyl]methyl]-1H-imidazol-2-one
CID 67631448
1-benzyl-5-(hydroxymethyl)pyridin-2-one
CID 23240890

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one (CID 82032049) is 1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one is NCc1ccc(Cn2cc(Cl)ccc2=O)cc1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one?
The InChIKey is UNAGKOVXMKSHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-12-5-6-13(17)16(9-12)8-11-3-1-10(7-15)2-4-11/h1-6,9H,7-8,15H2.
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one?
1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-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)phenyl]methyl]-5-chloropyridin-2-one is sourced from PubChem (CID 82032049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).