4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile

C15H10BrN3 — CID 116619511

IUPAC4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2ccc3cc(Br)ccc32)ccn1
InChIInChI=1S/C15H10BrN3/c16-13-1-2-15-12(8-13)4-6-19(15)10-11-3-5-18-14(7-11)9-17/h1-8H,10H2
InChIKeyVPAUEUJVRICPPL-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.72
Rot. Bonds2

About 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile

4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 116619511) has the molecular formula C15H10BrN3 and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID116619511
Molecular FormulaC15H10BrN3
Molecular Weight312.17 g/mol
Exact Mass311.01
IUPAC Name4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cn2ccc3cc(Br)ccc32)ccn1
InChIInChI=1S/C15H10BrN3/c16-13-1-2-15-12(8-13)4-6-19(15)10-11-3-5-18-14(7-11)9-17/h1-8H,10H2
InChIKeyVPAUEUJVRICPPL-UHFFFAOYSA-N
XLogP3.72
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile 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

4-[(5-aminoindol-1-yl)methyl]pyridine-2-carbonitrile
CID 63881946
4-[(5-fluoroindol-1-yl)methyl]pyridine-2-carbonitrile
CID 63882015
1-[(2-cyano-4-pyridinyl)methyl]indole-5-carboxylic acid
CID 63881963
4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile
CID 66310822
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
5-bromo-1-[(3-fluorophenyl)methyl]indole
CID 4284704
4-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carbonitrile
CID 63881824
5-bromo-1-[(3,4-dimethoxyphenyl)methyl]indole
CID 116619663
4-[[2-(aminomethyl)pyrrol-1-yl]methyl]pyridine-2-carbonitrile
CID 66409699
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile (CID 116619511) is 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile is N#Cc1cc(Cn2ccc3cc(Br)ccc32)ccn1.
What is the InChIKey of 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is VPAUEUJVRICPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3/c16-13-1-2-15-12(8-13)4-6-19(15)10-11-3-5-18-14(7-11)9-17/h1-8H,10H2.
What are the key properties of 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile?
4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 312.17 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromoindol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 116619511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).