1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone

C13H11ClN2O — CID 116597491

IUPAC1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone
SMILESNc1cc(Cl)cc(C(=O)Cc2ccccn2)c1
InChIInChI=1S/C13H11ClN2O/c14-10-5-9(6-11(15)7-10)13(17)8-12-3-1-2-4-16-12/h1-7H,8,15H2
InChIKeyCPAHQXLODPGJNB-UHFFFAOYSA-N
MW246.70 g/mol
LogP2.74
Rot. Bonds3

About 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone

1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone (PubChem CID 116597491) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone
PubChem CID116597491
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone
SMILESNc1cc(Cl)cc(C(=O)Cc2ccccn2)c1
InChIInChI=1S/C13H11ClN2O/c14-10-5-9(6-11(15)7-10)13(17)8-12-3-1-2-4-16-12/h1-7H,8,15H2
InChIKeyCPAHQXLODPGJNB-UHFFFAOYSA-N
XLogP2.74
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
CID 116597278
1-(3-amino-5-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062342
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
1-(3-amino-5-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116597370
1-(3-amino-5-chlorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 116597401
1-(1,3-dihydro-2-benzofuran-5-yl)-2-pyridin-2-ylethanone
CID 63743858
1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone
CID 116597474
3-chloro-5-(pyridin-2-ylmethyl)benzoic acid
CID 107957282
1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448114
1-(2-chloro-4-methylphenyl)-2-pyridin-2-ylethanone
CID 106861656
1-(3-propylphenyl)-2-pyridin-2-ylethanone
CID 116543105

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone (CID 116597491) is 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone is Nc1cc(Cl)cc(C(=O)Cc2ccccn2)c1.
What is the InChIKey of 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone?
The InChIKey is CPAHQXLODPGJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-10-5-9(6-11(15)7-10)13(17)8-12-3-1-2-4-16-12/h1-7H,8,15H2.
What are the key properties of 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone?
1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone has a molecular weight of 246.70 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chlorophenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 116597491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).