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

C12H11ClN2O — CID 82519382

IUPAC3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one
SMILESNCc1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C12H11ClN2O/c13-10-4-1-8(2-5-10)11-6-3-9(7-14)12(16)15-11/h1-6H,7,14H2,(H,15,16)
InChIKeyYNMQDRHSJOAHCO-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.15
Rot. Bonds2

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

3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one (PubChem CID 82519382) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one
PubChem CID82519382
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one
SMILESNCc1ccc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C12H11ClN2O/c13-10-4-1-8(2-5-10)11-6-3-9(7-14)12(16)15-11/h1-6H,7,14H2,(H,15,16)
InChIKeyYNMQDRHSJOAHCO-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

3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one
CID 82519139
3-(aminomethyl)-6-(4-methoxy-3-methylphenyl)-1H-pyridin-2-one
CID 82517371
3-(hydroxymethyl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520486
3-chloro-6-phenyl-1H-pyridin-2-one
CID 130883515
ethane;3-ethyl-6-phenyl-1H-pyridin-2-one
CID 145103811
3-(hydroxymethyl)-6-phenyl-1H-pyridin-2-one
CID 82521366
2-[[6-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]acetic acid
CID 125473172
3-(5-chloro-2-methylphenoxy)-6-(4-chlorophenyl)-1H-pyridin-2-one
CID 171978029
3-(chloromethyl)-6-(3,4-dimethylphenyl)-1H-pyridin-2-one
CID 82520164
5-[4-(4-chlorophenyl)phenyl]-1H-pyrrole-2-carboxamide
CID 170693753
3-(chloromethyl)-6-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]-1H-pyridin-2-one;hydrochloride
CID 21404555
6-(4-chlorophenyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
CID 66497750

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one (CID 82519382) is 3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one is NCc1ccc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one?
The InChIKey is YNMQDRHSJOAHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-10-4-1-8(2-5-10)11-6-3-9(7-14)12(16)15-11/h1-6H,7,14H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one?
3-(aminomethyl)-6-(4-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 3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82519382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).