2-(4-chloro-1-methylindol-5-yl)acetonitrile

C11H9ClN2 — CID 84778134

IUPAC2-(4-chloro-1-methylindol-5-yl)acetonitrile
SMILESCn1ccc2c(Cl)c(CC#N)ccc21
InChIInChI=1S/C11H9ClN2/c1-14-7-5-9-10(14)3-2-8(4-6-13)11(9)12/h2-3,5,7H,4H2,1H3
InChIKeyQGKKUKYAGULCSB-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.90
Rot. Bonds1

About 2-(4-chloro-1-methylindol-5-yl)acetonitrile

2-(4-chloro-1-methylindol-5-yl)acetonitrile (PubChem CID 84778134) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-(4-chloro-1-methylindol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-chloro-1-methylindol-5-yl)acetonitrile
PubChem CID84778134
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-(4-chloro-1-methylindol-5-yl)acetonitrile
SMILESCn1ccc2c(Cl)c(CC#N)ccc21
InChIInChI=1S/C11H9ClN2/c1-14-7-5-9-10(14)3-2-8(4-6-13)11(9)12/h2-3,5,7H,4H2,1H3
InChIKeyQGKKUKYAGULCSB-UHFFFAOYSA-N
XLogP2.90
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylindol-5-yl)acetonitrile?
The IUPAC name of 2-(4-chloro-1-methylindol-5-yl)acetonitrile (CID 84778134) is 2-(4-chloro-1-methylindol-5-yl)acetonitrile.
What is the SMILES notation for 2-(4-chloro-1-methylindol-5-yl)acetonitrile?
The canonical SMILES for 2-(4-chloro-1-methylindol-5-yl)acetonitrile is Cn1ccc2c(Cl)c(CC#N)ccc21.
What is the InChIKey of 2-(4-chloro-1-methylindol-5-yl)acetonitrile?
The InChIKey is QGKKUKYAGULCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-14-7-5-9-10(14)3-2-8(4-6-13)11(9)12/h2-3,5,7H,4H2,1H3.
What are the key properties of 2-(4-chloro-1-methylindol-5-yl)acetonitrile?
2-(4-chloro-1-methylindol-5-yl)acetonitrile has a molecular weight of 204.66 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylindol-5-yl)acetonitrile is sourced from PubChem (CID 84778134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).