5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one

C12H10Cl2N2O — CID 82467267

IUPAC5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(N)cn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-5-11(17)9(15)6-16(7)10-4-2-3-8(13)12(10)14/h2-6H,15H2,1H3
InChIKeyVTHMYQQHTJEWKU-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.03
Rot. Bonds1

About 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one

5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one (PubChem CID 82467267) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one
PubChem CID82467267
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one
SMILESCc1cc(=O)c(N)cn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2O/c1-7-5-11(17)9(15)6-16(7)10-4-2-3-8(13)12(10)14/h2-6H,15H2,1H3
InChIKeyVTHMYQQHTJEWKU-UHFFFAOYSA-N
XLogP3.03
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(2-chlorophenyl)-2-methylpyridin-4-one
CID 82467411
1-(2,3-dichlorophenyl)-6-methyl-4-oxopyridine-3-carbonitrile
CID 82419058
5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one
CID 82467413
5-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyridin-4-one
CID 82467328
5-amino-1-(2-ethoxyphenyl)-2-methylpyridin-4-one
CID 82467325
3-amino-1-(2-chlorophenyl)-6-methylpyridazin-4-one
CID 14820803
5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
CID 82419859
1-(2,3-dichlorophenyl)pyrrole-2-carbonitrile
CID 95564348
2-amino-6-chloro-3-(2,3-dichlorophenyl)pyrimidin-4-one
CID 155165181
1-(2,3-dimethylphenyl)-6-methyl-4-oxopyridine-3-carboximidamide
CID 82419941
2-(2,3-dichlorophenyl)-3H-isoindol-1-one
CID 842632
(7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 141029515

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one (CID 82467267) is 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one is Cc1cc(=O)c(N)cn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one?
The InChIKey is VTHMYQQHTJEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-7-5-11(17)9(15)6-16(7)10-4-2-3-8(13)12(10)14/h2-6H,15H2,1H3.
What are the key properties of 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one?
5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one has a molecular weight of 269.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dichlorophenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82467267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).