4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one

C12H11ClN2O — CID 105495501

IUPAC4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one
SMILESNCc1cc(-c2cccc(Cl)c2)[nH]c(=O)c1
InChIInChI=1S/C12H11ClN2O/c13-10-3-1-2-9(6-10)11-4-8(7-14)5-12(16)15-11/h1-6H,7,14H2,(H,15,16)
InChIKeyAIXSWSOVQKHBMM-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.15
Rot. Bonds2

About 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one

4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one (PubChem CID 105495501) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one
PubChem CID105495501
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one
SMILESNCc1cc(-c2cccc(Cl)c2)[nH]c(=O)c1
InChIInChI=1S/C12H11ClN2O/c13-10-3-1-2-9(6-10)11-4-8(7-14)5-12(16)15-11/h1-6H,7,14H2,(H,15,16)
InChIKeyAIXSWSOVQKHBMM-UHFFFAOYSA-N
XLogP2.15
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-6-(4-methylphenyl)-1H-pyridin-2-one
CID 105467806
3-amino-6-(3-chlorophenyl)-1H-pyridin-2-one
CID 105476832
2-(3-chlorophenyl)-1H-pyridin-4-one
CID 53229265
2-(3-chlorophenyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117133007
5-(3-chlorophenyl)-1H-pyrrol-2-amine
CID 117222744
4-(chloromethyl)-2-(3-chlorophenyl)-1H-pyrimidin-6-one
CID 135978468
5-amino-3-(3-chlorophenyl)-2H-isoquinolin-1-one;hydrobromide
CID 90203147
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
2-chloro-5-(3-chlorophenyl)-1H-imidazole
CID 105466466
6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 166272958
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
4-chloro-6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 134149549

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one (CID 105495501) is 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one is NCc1cc(-c2cccc(Cl)c2)[nH]c(=O)c1.
What is the InChIKey of 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one?
The InChIKey is AIXSWSOVQKHBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-10-3-1-2-9(6-10)11-4-8(7-14)5-12(16)15-11/h1-6H,7,14H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one?
4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one has a molecular weight of 234.69 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(3-chlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 105495501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).