CID 170968311

C8H3BCl2N2 — CID 170968311

IUPAC—
SMILES[B]c1cc2cnc(Cl)cc2nc1Cl
InChIInChI=1S/C8H3BCl2N2/c9-5-1-4-3-12-7(10)2-6(4)13-8(5)11/h1-3H
InChIKeyWFMDOCYGKZTXBG-UHFFFAOYSA-N
MW208.84 g/mol
LogP1.73
Rot. Bonds

About CID 170968311

CID 170968311 (PubChem CID 170968311) has the molecular formula C8H3BCl2N2 and a molecular weight of 208.84 g/mol.

Molecular Properties

Compound NameCID 170968311
PubChem CID170968311
Molecular FormulaC8H3BCl2N2
Molecular Weight208.84 g/mol
Exact Mass207.98
IUPAC Name—
SMILES[B]c1cc2cnc(Cl)cc2nc1Cl
InChIInChI=1S/C8H3BCl2N2/c9-5-1-4-3-12-7(10)2-6(4)13-8(5)11/h1-3H
InChIKeyWFMDOCYGKZTXBG-UHFFFAOYSA-N
XLogP1.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.84
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 170968311 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

CID 170967863
CID 170967863
2-bromo-7-chloro-1,6-naphthyridine
CID 138754733
3-bromo-7-chloro-1,6-naphthyridine-2-carboxylic acid
CID 171555659
3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine
CID 170793879
3-chloro-7-methyl-2,6-naphthyridine
CID 163219656
3-chloro-7-methylsulfanylisoquinoline
CID 171157638
6-chloropyrido[3,4-d]pyrimidine
CID 22727455
7-chloro-2H-1,6-naphthyridin-2-ide;propane;yttrium
CID 58547458
3-bromo-2-chloro-N-methyl-1,6-naphthyridin-7-amine
CID 169074753
7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amine
CID 155259775
2,3,5,7-tetrachloropyrido[3,4-b]pyrazine
CID 121232247
3-chloro-6,7-difluoroisoquinoline
CID 103351553

Frequently Asked Questions

What is the IUPAC name of CID 170968311?
The IUPAC name of CID 170968311 (CID 170968311) is not available.
What is the SMILES notation for CID 170968311?
The canonical SMILES for CID 170968311 is [B]c1cc2cnc(Cl)cc2nc1Cl.
What is the InChIKey of CID 170968311?
The InChIKey is WFMDOCYGKZTXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BCl2N2/c9-5-1-4-3-12-7(10)2-6(4)13-8(5)11/h1-3H.
What are the key properties of CID 170968311?
CID 170968311 has a molecular weight of 208.84 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170968311 is sourced from PubChem (CID 170968311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).