2-(5-bromo-4-chloroindazol-2-yl)acetonitrile

C9H5BrClN3 — CID 148573911

IUPAC2-(5-bromo-4-chloroindazol-2-yl)acetonitrile
SMILESN#CCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C9H5BrClN3/c10-7-1-2-8-6(9(7)11)5-14(13-8)4-3-12/h1-2,5H,4H2
InChIKeyMXKHSNZAXRIYLB-UHFFFAOYSA-N
MW270.52 g/mol
LogP2.98
Rot. Bonds1

About 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile

2-(5-bromo-4-chloroindazol-2-yl)acetonitrile (PubChem CID 148573911) has the molecular formula C9H5BrClN3 and a molecular weight of 270.52 g/mol. Its IUPAC name is 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-4-chloroindazol-2-yl)acetonitrile
PubChem CID148573911
Molecular FormulaC9H5BrClN3
Molecular Weight270.52 g/mol
Exact Mass268.94
IUPAC Name2-(5-bromo-4-chloroindazol-2-yl)acetonitrile
SMILESN#CCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C9H5BrClN3/c10-7-1-2-8-6(9(7)11)5-14(13-8)4-3-12/h1-2,5H,4H2
InChIKeyMXKHSNZAXRIYLB-UHFFFAOYSA-N
XLogP2.98
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile 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 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile?
The IUPAC name of 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile (CID 148573911) is 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile is N#CCn1cc2c(Cl)c(Br)ccc2n1.
What is the InChIKey of 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile?
The InChIKey is MXKHSNZAXRIYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3/c10-7-1-2-8-6(9(7)11)5-14(13-8)4-3-12/h1-2,5H,4H2.
What are the key properties of 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile?
2-(5-bromo-4-chloroindazol-2-yl)acetonitrile has a molecular weight of 270.52 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloroindazol-2-yl)acetonitrile is sourced from PubChem (CID 148573911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).