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

C12H11ClN2O — CID 105495531

IUPAC3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one
SMILESNCc1cccn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C12H11ClN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-14)12(15)16/h1-7H,8,14H2
InChIKeyWIRDBCVVVRUCGH-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.95
Rot. Bonds2

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

3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one (PubChem CID 105495531) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one
PubChem CID105495531
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one
SMILESNCc1cccn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C12H11ClN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-14)12(15)16/h1-7H,8,14H2
InChIKeyWIRDBCVVVRUCGH-UHFFFAOYSA-N
XLogP1.95
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(4-hydroxyphenyl)pyridin-2-one
CID 105469670
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
1-(4-chlorophenyl)-4-methylpyrazine-2,3-dione
CID 155981688
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
1-(4-fluorophenyl)-3-(2-methylpropyl)pyridin-2-one
CID 158427364
[1-(4-chlorophenyl)imidazol-2-yl]methanamine
CID 67564899
3-(aminomethyl)-1-cyclopropylpyridin-2-one
CID 82186489
2-(2-oxo-1-pyridin-4-yl-3-pyridinyl)acetonitrile
CID 172714087
1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
CID 30566086
3-(aminomethyl)-1-prop-2-enylpyridin-2-one
CID 82502852
3-(aminomethyl)-9-fluoroquinolizin-4-one
CID 115018883
4-(4-chlorophenyl)-2-sulfanylidene-1H-pyrazin-3-one
CID 22424557

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one (CID 105495531) is 3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one is NCc1cccn(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one?
The InChIKey is WIRDBCVVVRUCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-14)12(15)16/h1-7H,8,14H2.
What are the key properties of 3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one?
3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one has a molecular weight of 234.69 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-chlorophenyl)pyridin-2-one is sourced from PubChem (CID 105495531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).