2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile

C11H9BrN2 — CID 66738785

IUPAC2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile
SMILESCc1[nH]c2cccc(Br)c2c1CC#N
InChIInChI=1S/C11H9BrN2/c1-7-8(5-6-13)11-9(12)3-2-4-10(11)14-7/h2-4,14H,5H2,1H3
InChIKeyWCWXQEPSFKVOIP-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.30
Rot. Bonds1

About 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile

2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile (PubChem CID 66738785) has the molecular formula C11H9BrN2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile
PubChem CID66738785
Molecular FormulaC11H9BrN2
Molecular Weight249.11 g/mol
Exact Mass247.99
IUPAC Name2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile
SMILESCc1[nH]c2cccc(Br)c2c1CC#N
InChIInChI=1S/C11H9BrN2/c1-7-8(5-6-13)11-9(12)3-2-4-10(11)14-7/h2-4,14H,5H2,1H3
InChIKeyWCWXQEPSFKVOIP-UHFFFAOYSA-N
XLogP3.30
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(aminomethyl)-3-(4-bromo-2-methyl-1H-indol-3-yl)propanoic acid
CID 153346410
2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
1-(4-bromo-2-methyl-1H-indol-3-yl)ethanone
CID 82382387
2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82495069
2-[3,6-dibromo-2-(cyanomethyl)phenyl]acetonitrile
CID 153406802
(4-bromo-2-propan-2-yl-1H-indol-3-yl)methanamine
CID 84711874
4-bromo-2-chloro-3-methyl-1H-indole
CID 117127723
2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile
CID 22970446
methyl 4-bromo-2-methyl-1H-indole-3-carboxylate
CID 130049441
4-bromo-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-indole
CID 121004885
3-[(2-bromo-6-fluorophenyl)methyl]-2-methyl-1H-indole
CID 172635497
2-(2-bromo-3,6-dimethylphenyl)acetonitrile
CID 54544905

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile (CID 66738785) is 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile is Cc1[nH]c2cccc(Br)c2c1CC#N.
What is the InChIKey of 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile?
The InChIKey is WCWXQEPSFKVOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2/c1-7-8(5-6-13)11-9(12)3-2-4-10(11)14-7/h2-4,14H,5H2,1H3.
What are the key properties of 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile?
2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile has a molecular weight of 249.11 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methyl-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 66738785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).