3-chloro-4-(1H-indol-2-yl)benzonitrile

C15H9ClN2 — CID 54373551

IUPAC3-chloro-4-(1H-indol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C15H9ClN2/c16-13-7-10(9-17)5-6-12(13)15-8-11-3-1-2-4-14(11)18-15/h1-8,18H
InChIKeyUUXBVIRYJLPTQN-UHFFFAOYSA-N
MW252.70 g/mol
LogP4.36
Rot. Bonds1

About 3-chloro-4-(1H-indol-2-yl)benzonitrile

3-chloro-4-(1H-indol-2-yl)benzonitrile (PubChem CID 54373551) has the molecular formula C15H9ClN2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-chloro-4-(1H-indol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(1H-indol-2-yl)benzonitrile
PubChem CID54373551
Molecular FormulaC15H9ClN2
Molecular Weight252.70 g/mol
Exact Mass252.05
IUPAC Name3-chloro-4-(1H-indol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C15H9ClN2/c16-13-7-10(9-17)5-6-12(13)15-8-11-3-1-2-4-14(11)18-15/h1-8,18H
InChIKeyUUXBVIRYJLPTQN-UHFFFAOYSA-N
XLogP4.36
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1H-indol-2-yl)benzonitrile?
The IUPAC name of 3-chloro-4-(1H-indol-2-yl)benzonitrile (CID 54373551) is 3-chloro-4-(1H-indol-2-yl)benzonitrile.
What is the SMILES notation for 3-chloro-4-(1H-indol-2-yl)benzonitrile?
The canonical SMILES for 3-chloro-4-(1H-indol-2-yl)benzonitrile is N#Cc1ccc(-c2cc3ccccc3[nH]2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(1H-indol-2-yl)benzonitrile?
The InChIKey is UUXBVIRYJLPTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2/c16-13-7-10(9-17)5-6-12(13)15-8-11-3-1-2-4-14(11)18-15/h1-8,18H.
What are the key properties of 3-chloro-4-(1H-indol-2-yl)benzonitrile?
3-chloro-4-(1H-indol-2-yl)benzonitrile has a molecular weight of 252.70 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1H-indol-2-yl)benzonitrile is sourced from PubChem (CID 54373551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).