2-(7-chloro-1H-indol-3-yl)acetonitrile

C10H7ClN2 — CID 10559597

IUPAC2-(7-chloro-1H-indol-3-yl)acetonitrile
SMILESN#CCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C10H7ClN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4H2
InChIKeyZQEMFYCURAAFLI-UHFFFAOYSA-N
MW190.63 g/mol
LogP2.89
Rot. Bonds1

About 2-(7-chloro-1H-indol-3-yl)acetonitrile

2-(7-chloro-1H-indol-3-yl)acetonitrile (PubChem CID 10559597) has the molecular formula C10H7ClN2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-(7-chloro-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-chloro-1H-indol-3-yl)acetonitrile
PubChem CID10559597
Molecular FormulaC10H7ClN2
Molecular Weight190.63 g/mol
Exact Mass190.03
IUPAC Name2-(7-chloro-1H-indol-3-yl)acetonitrile
SMILESN#CCc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C10H7ClN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4H2
InChIKeyZQEMFYCURAAFLI-UHFFFAOYSA-N
XLogP2.89
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(7-chloro-1H-indol-3-yl)acetonitrile (CID 10559597) is 2-(7-chloro-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(7-chloro-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(7-chloro-1H-indol-3-yl)acetonitrile is N#CCc1c[nH]c2c(Cl)cccc12.
What is the InChIKey of 2-(7-chloro-1H-indol-3-yl)acetonitrile?
The InChIKey is ZQEMFYCURAAFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2/c11-9-3-1-2-8-7(4-5-12)6-13-10(8)9/h1-3,6,13H,4H2.
What are the key properties of 2-(7-chloro-1H-indol-3-yl)acetonitrile?
2-(7-chloro-1H-indol-3-yl)acetonitrile has a molecular weight of 190.63 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 10559597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).