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

C11H8Cl2N2O — CID 130088720

IUPAC3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one
SMILESNc1c[nH]cc(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C11H8Cl2N2O/c12-6-1-2-7(9(13)3-6)8-4-15-5-10(14)11(8)16/h1-5H,14H2,(H,15,16)
InChIKeyAIQSSZBOLLVBAX-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.93
Rot. Bonds1

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

3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one (PubChem CID 130088720) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one
PubChem CID130088720
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one
SMILESNc1c[nH]cc(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C11H8Cl2N2O/c12-6-1-2-7(9(13)3-6)8-4-15-5-10(14)11(8)16/h1-5H,14H2,(H,15,16)
InChIKeyAIQSSZBOLLVBAX-UHFFFAOYSA-N
XLogP2.93
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088712
5-chloro-2-(2,4-dichlorophenyl)aniline
CID 70539769
4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791
5-chloro-2-(2,4-dichlorophenyl)benzoic acid
CID 114026411
4-(2-chlorophenyl)-1H-pyrrol-3-amine
CID 117223470
2,4-dichloroaniline;molecular nitrogen
CID 69010854
4-amino-2-(2,4-dichlorophenyl)benzoic acid
CID 162623483
3-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 133093059
5-chloro-2-(2,4-dichlorophenyl)phenol
CID 174783468
5-(2,4-dichlorophenyl)-2-fluoroaniline
CID 91827858
5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
CID 123499878

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one?
The IUPAC name of 3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one (CID 130088720) is 3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one?
The canonical SMILES for 3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one is Nc1c[nH]cc(-c2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one?
The InChIKey is AIQSSZBOLLVBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(9(13)3-6)8-4-15-5-10(14)11(8)16/h1-5H,14H2,(H,15,16).
What are the key properties of 3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one?
3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one has a molecular weight of 255.10 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,4-dichlorophenyl)-1H-pyridin-4-one is sourced from PubChem (CID 130088720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).