7-bromo-2-chloroquinoline-5-carbonitrile

C10H4BrClN2 — CID 165134565

IUPAC7-bromo-2-chloroquinoline-5-carbonitrile
SMILESN#Cc1cc(Br)cc2nc(Cl)ccc12
InChIInChI=1S/C10H4BrClN2/c11-7-3-6(5-13)8-1-2-10(12)14-9(8)4-7/h1-4H
InChIKeyAJXXBZHUBHSFQX-UHFFFAOYSA-N
MW267.51 g/mol
LogP3.52
Rot. Bonds

About 7-bromo-2-chloroquinoline-5-carbonitrile

7-bromo-2-chloroquinoline-5-carbonitrile (PubChem CID 165134565) has the molecular formula C10H4BrClN2 and a molecular weight of 267.51 g/mol. Its IUPAC name is 7-bromo-2-chloroquinoline-5-carbonitrile.

Molecular Properties

Compound Name7-bromo-2-chloroquinoline-5-carbonitrile
PubChem CID165134565
Molecular FormulaC10H4BrClN2
Molecular Weight267.51 g/mol
Exact Mass265.92
IUPAC Name7-bromo-2-chloroquinoline-5-carbonitrile
SMILESN#Cc1cc(Br)cc2nc(Cl)ccc12
InChIInChI=1S/C10H4BrClN2/c11-7-3-6(5-13)8-1-2-10(12)14-9(8)4-7/h1-4H
InChIKeyAJXXBZHUBHSFQX-UHFFFAOYSA-N
XLogP3.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-2-chloroquinoline-5-carbonitrile 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 7-bromo-2-chloroquinoline-5-carbonitrile?
The IUPAC name of 7-bromo-2-chloroquinoline-5-carbonitrile (CID 165134565) is 7-bromo-2-chloroquinoline-5-carbonitrile.
What is the SMILES notation for 7-bromo-2-chloroquinoline-5-carbonitrile?
The canonical SMILES for 7-bromo-2-chloroquinoline-5-carbonitrile is N#Cc1cc(Br)cc2nc(Cl)ccc12.
What is the InChIKey of 7-bromo-2-chloroquinoline-5-carbonitrile?
The InChIKey is AJXXBZHUBHSFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClN2/c11-7-3-6(5-13)8-1-2-10(12)14-9(8)4-7/h1-4H.
What are the key properties of 7-bromo-2-chloroquinoline-5-carbonitrile?
7-bromo-2-chloroquinoline-5-carbonitrile has a molecular weight of 267.51 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloroquinoline-5-carbonitrile is sourced from PubChem (CID 165134565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).