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

C12H10Cl2N2O — CID 82519139

IUPAC3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one
SMILESNCc1ccc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O
InChIInChI=1S/C12H10Cl2N2O/c13-9-3-1-7(5-10(9)14)11-4-2-8(6-15)12(17)16-11/h1-5H,6,15H2,(H,16,17)
InChIKeyOGXWCEOQUNQTPN-UHFFFAOYSA-N
MW269.13 g/mol
LogP2.81
Rot. Bonds2

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

3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one (PubChem CID 82519139) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one
PubChem CID82519139
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one
SMILESNCc1ccc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O
InChIInChI=1S/C12H10Cl2N2O/c13-9-3-1-7(5-10(9)14)11-4-2-8(6-15)12(17)16-11/h1-5H,6,15H2,(H,16,17)
InChIKeyOGXWCEOQUNQTPN-UHFFFAOYSA-N
XLogP2.81
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one (CID 82519139) is 3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one is NCc1ccc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one?
The InChIKey is OGXWCEOQUNQTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-3-1-7(5-10(9)14)11-4-2-8(6-15)12(17)16-11/h1-5H,6,15H2,(H,16,17).
What are the key properties of 3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one?
3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one has a molecular weight of 269.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(3,4-dichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82519139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).