bis(6-chloro-2H-pyridin-1-yl)methanone

C11H10Cl2N2O — CID 22356221

IUPACbis(6-chloro-2H-pyridin-1-yl)methanone
SMILESO=C(N1CC=CC=C1Cl)N1CC=CC=C1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-9-5-1-3-7-14(9)11(16)15-8-4-2-6-10(15)13/h1-6H,7-8H2
InChIKeySMTSZDCZRDTUPM-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.01
Rot. Bonds

About bis(6-chloro-2H-pyridin-1-yl)methanone

bis(6-chloro-2H-pyridin-1-yl)methanone (PubChem CID 22356221) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is bis(6-chloro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Namebis(6-chloro-2H-pyridin-1-yl)methanone
PubChem CID22356221
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Namebis(6-chloro-2H-pyridin-1-yl)methanone
SMILESO=C(N1CC=CC=C1Cl)N1CC=CC=C1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-9-5-1-3-7-14(9)11(16)15-8-4-2-6-10(15)13/h1-6H,7-8H2
InChIKeySMTSZDCZRDTUPM-UHFFFAOYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze bis(6-chloro-2H-pyridin-1-yl)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 bis(6-chloro-2H-pyridin-1-yl)methanone?
The IUPAC name of bis(6-chloro-2H-pyridin-1-yl)methanone (CID 22356221) is bis(6-chloro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for bis(6-chloro-2H-pyridin-1-yl)methanone?
The canonical SMILES for bis(6-chloro-2H-pyridin-1-yl)methanone is O=C(N1CC=CC=C1Cl)N1CC=CC=C1Cl.
What is the InChIKey of bis(6-chloro-2H-pyridin-1-yl)methanone?
The InChIKey is SMTSZDCZRDTUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-9-5-1-3-7-14(9)11(16)15-8-4-2-6-10(15)13/h1-6H,7-8H2.
What are the key properties of bis(6-chloro-2H-pyridin-1-yl)methanone?
bis(6-chloro-2H-pyridin-1-yl)methanone has a molecular weight of 257.12 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-chloro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 22356221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).