(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone

C13H10Cl2N2O — CID 116609756

IUPAC(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)cn1
InChIInChI=1S/C13H10Cl2N2O/c1-7-2-3-8(6-17-7)13(18)9-4-10(14)12(16)11(15)5-9/h2-6H,16H2,1H3
InChIKeyUHCNCIZIDJMUTN-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.51
Rot. Bonds2

About (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone

(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 116609756) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
PubChem CID116609756
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)cn1
InChIInChI=1S/C13H10Cl2N2O/c1-7-2-3-8(6-17-7)13(18)9-4-10(14)12(16)11(15)5-9/h2-6H,16H2,1H3
InChIKeyUHCNCIZIDJMUTN-UHFFFAOYSA-N
XLogP3.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone 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

(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
CID 103214088
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
(4-amino-3,5-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 116609737
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
(3-chloro-4-pyridinyl)-(6-methyl-3-pyridinyl)methanone
CID 105098887
(4-amino-3,5-dichlorophenyl)-(4-ethoxyphenyl)methanone
CID 116609755
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376
N-(4-amino-3-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 82862313
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116609838

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone (CID 116609756) is (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2cc(Cl)c(N)c(Cl)c2)cn1.
What is the InChIKey of (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is UHCNCIZIDJMUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-7-2-3-8(6-17-7)13(18)9-4-10(14)12(16)11(15)5-9/h2-6H,16H2,1H3.
What are the key properties of (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone?
(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 281.14 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116609756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).