5-bromo-4-chloro-2-methylindazole-3-carbonitrile

C9H5BrClN3 — CID 156674023

IUPAC5-bromo-4-chloro-2-methylindazole-3-carbonitrile
SMILESCn1nc2ccc(Br)c(Cl)c2c1C#N
InChIInChI=1S/C9H5BrClN3/c1-14-7(4-12)8-6(13-14)3-2-5(10)9(8)11/h2-3H,1H3
InChIKeyANGBALMMNYAKSP-UHFFFAOYSA-N
MW270.52 g/mol
LogP2.86
Rot. Bonds

About 5-bromo-4-chloro-2-methylindazole-3-carbonitrile

5-bromo-4-chloro-2-methylindazole-3-carbonitrile (PubChem CID 156674023) has the molecular formula C9H5BrClN3 and a molecular weight of 270.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methylindazole-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methylindazole-3-carbonitrile
PubChem CID156674023
Molecular FormulaC9H5BrClN3
Molecular Weight270.52 g/mol
Exact Mass268.94
IUPAC Name5-bromo-4-chloro-2-methylindazole-3-carbonitrile
SMILESCn1nc2ccc(Br)c(Cl)c2c1C#N
InChIInChI=1S/C9H5BrClN3/c1-14-7(4-12)8-6(13-14)3-2-5(10)9(8)11/h2-3H,1H3
InChIKeyANGBALMMNYAKSP-UHFFFAOYSA-N
XLogP2.86
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-methylindazole-3-carbonitrile?
The IUPAC name of 5-bromo-4-chloro-2-methylindazole-3-carbonitrile (CID 156674023) is 5-bromo-4-chloro-2-methylindazole-3-carbonitrile.
What is the SMILES notation for 5-bromo-4-chloro-2-methylindazole-3-carbonitrile?
The canonical SMILES for 5-bromo-4-chloro-2-methylindazole-3-carbonitrile is Cn1nc2ccc(Br)c(Cl)c2c1C#N.
What is the InChIKey of 5-bromo-4-chloro-2-methylindazole-3-carbonitrile?
The InChIKey is ANGBALMMNYAKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3/c1-14-7(4-12)8-6(13-14)3-2-5(10)9(8)11/h2-3H,1H3.
What are the key properties of 5-bromo-4-chloro-2-methylindazole-3-carbonitrile?
5-bromo-4-chloro-2-methylindazole-3-carbonitrile has a molecular weight of 270.52 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-methylindazole-3-carbonitrile is sourced from PubChem (CID 156674023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).