2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile

C11H10BrN3 — CID 10422893

IUPAC2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H10BrN3/c1-14-11(5-13)9-6-15-10-4-7(12)2-3-8(9)10/h2-4,6,11,14-15H,1H3
InChIKeyJBPHRDKGZXHYLN-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.71
Rot. Bonds2

About 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile

2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile (PubChem CID 10422893) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile
PubChem CID10422893
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C11H10BrN3/c1-14-11(5-13)9-6-15-10-4-7(12)2-3-8(9)10/h2-4,6,11,14-15H,1H3
InChIKeyJBPHRDKGZXHYLN-UHFFFAOYSA-N
XLogP2.71
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile 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

2-(5-methoxy-1H-indol-3-yl)-2-(methylamino)acetonitrile
CID 84817572
(2S)-2-(5-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 51675216
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)ethanol
CID 82277649
2-(4-bromo-2-fluorophenyl)-2-(methylamino)acetonitrile
CID 43364618
(1S)-1-(6-bromo-1H-indol-3-yl)propan-1-amine
CID 82758929
2-(3-bromophenyl)-2-(methylamino)acetonitrile
CID 43114986
3-amino-1-(6-bromo-1H-indol-3-yl)propane-1,2-diol
CID 170829404
2-(6-bromo-1H-indol-3-yl)-N,2-dimethylpropan-1-amine
CID 84642871
2-(5-bromo-1H-indol-3-yl)-2-trimethylsilyloxyacetonitrile
CID 11324747
2-(6-bromo-1H-indol-3-yl)-2-ethylbutanenitrile
CID 154958366
1-(6-bromo-1H-indol-3-yl)-2-(methylamino)butan-1-one
CID 162765726
2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
CID 84816526

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile?
The IUPAC name of 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile (CID 10422893) is 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile?
The canonical SMILES for 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile is CNC(C#N)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile?
The InChIKey is JBPHRDKGZXHYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-14-11(5-13)9-6-15-10-4-7(12)2-3-8(9)10/h2-4,6,11,14-15H,1H3.
What are the key properties of 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile?
2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile has a molecular weight of 264.13 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indol-3-yl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 10422893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).