(3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone

C12H8Cl2N2O — CID 3016382

IUPAC(3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone
SMILESNc1ccc(Cl)nc1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H8Cl2N2O/c13-8-4-2-1-3-7(8)12(17)11-9(15)5-6-10(14)16-11/h1-6H,15H2
InChIKeyNNFIJXMWXSQTSA-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.20
Rot. Bonds2

About (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone

(3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone (PubChem CID 3016382) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone
PubChem CID3016382
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name(3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone
SMILESNc1ccc(Cl)nc1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H8Cl2N2O/c13-8-4-2-1-3-7(8)12(17)11-9(15)5-6-10(14)16-11/h1-6H,15H2
InChIKeyNNFIJXMWXSQTSA-UHFFFAOYSA-N
XLogP3.20
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone?
The IUPAC name of (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone (CID 3016382) is (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone?
The canonical SMILES for (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone is Nc1ccc(Cl)nc1C(=O)c1ccccc1Cl.
What is the InChIKey of (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone?
The InChIKey is NNFIJXMWXSQTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-8-4-2-1-3-7(8)12(17)11-9(15)5-6-10(14)16-11/h1-6H,15H2.
What are the key properties of (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone?
(3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone has a molecular weight of 267.12 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-chloro-2-pyridinyl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 3016382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).