6-bromo-5-chloro-1H-indole-2-carbonitrile

C9H4BrClN2 — CID 131319079

IUPAC6-bromo-5-chloro-1H-indole-2-carbonitrile
SMILESN#Cc1cc2cc(Cl)c(Br)cc2[nH]1
InChIInChI=1S/C9H4BrClN2/c10-7-3-9-5(2-8(7)11)1-6(4-12)13-9/h1-3,13H
InChIKeyGGVRLMPBZKCZGZ-UHFFFAOYSA-N
MW255.50 g/mol
LogP3.46
Rot. Bonds

About 6-bromo-5-chloro-1H-indole-2-carbonitrile

6-bromo-5-chloro-1H-indole-2-carbonitrile (PubChem CID 131319079) has the molecular formula C9H4BrClN2 and a molecular weight of 255.50 g/mol. Its IUPAC name is 6-bromo-5-chloro-1H-indole-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-5-chloro-1H-indole-2-carbonitrile
PubChem CID131319079
Molecular FormulaC9H4BrClN2
Molecular Weight255.50 g/mol
Exact Mass253.92
IUPAC Name6-bromo-5-chloro-1H-indole-2-carbonitrile
SMILESN#Cc1cc2cc(Cl)c(Br)cc2[nH]1
InChIInChI=1S/C9H4BrClN2/c10-7-3-9-5(2-8(7)11)1-6(4-12)13-9/h1-3,13H
InChIKeyGGVRLMPBZKCZGZ-UHFFFAOYSA-N
XLogP3.46
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123881648
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5-bromo-4-chloro-2-methylbenzonitrile
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7-chloro-4-oxo-1H-quinoline-2-carbonitrile
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2-(5-chloro-2-methyl-1H-indol-6-yl)acetonitrile
CID 84778135
5,6-dibromo-2-methyl-1H-indole
CID 130290572
6-bromo-5-chloro-2-methyl-1-benzothiophene
CID 130970547
5-bromo-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
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3,4-dibromo-5-chlorobenzonitrile
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6-bromo-2-chloro-1H-benzimidazole-4-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-1H-indole-2-carbonitrile?
The IUPAC name of 6-bromo-5-chloro-1H-indole-2-carbonitrile (CID 131319079) is 6-bromo-5-chloro-1H-indole-2-carbonitrile.
What is the SMILES notation for 6-bromo-5-chloro-1H-indole-2-carbonitrile?
The canonical SMILES for 6-bromo-5-chloro-1H-indole-2-carbonitrile is N#Cc1cc2cc(Cl)c(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-5-chloro-1H-indole-2-carbonitrile?
The InChIKey is GGVRLMPBZKCZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClN2/c10-7-3-9-5(2-8(7)11)1-6(4-12)13-9/h1-3,13H.
What are the key properties of 6-bromo-5-chloro-1H-indole-2-carbonitrile?
6-bromo-5-chloro-1H-indole-2-carbonitrile has a molecular weight of 255.50 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-1H-indole-2-carbonitrile is sourced from PubChem (CID 131319079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).