2-chloro-6-cyclopropylbenzonitrile

C10H8ClN — CID 130067667

IUPAC2-chloro-6-cyclopropylbenzonitrile
SMILESN#Cc1c(Cl)cccc1C1CC1
InChIInChI=1S/C10H8ClN/c11-10-3-1-2-8(7-4-5-7)9(10)6-12/h1-3,7H,4-5H2
InChIKeyWUTMXEGITYPZPR-UHFFFAOYSA-N
MW177.63 g/mol
LogP3.09
Rot. Bonds1

About 2-chloro-6-cyclopropylbenzonitrile

2-chloro-6-cyclopropylbenzonitrile (PubChem CID 130067667) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-chloro-6-cyclopropylbenzonitrile.

Molecular Properties

Compound Name2-chloro-6-cyclopropylbenzonitrile
PubChem CID130067667
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name2-chloro-6-cyclopropylbenzonitrile
SMILESN#Cc1c(Cl)cccc1C1CC1
InChIInChI=1S/C10H8ClN/c11-10-3-1-2-8(7-4-5-7)9(10)6-12/h1-3,7H,4-5H2
InChIKeyWUTMXEGITYPZPR-UHFFFAOYSA-N
XLogP3.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-chloro-6-(2-cyclobutylethoxy)benzonitrile
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2-chloro-6-(2-cyclohexylethoxy)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropylbenzonitrile?
The IUPAC name of 2-chloro-6-cyclopropylbenzonitrile (CID 130067667) is 2-chloro-6-cyclopropylbenzonitrile.
What is the SMILES notation for 2-chloro-6-cyclopropylbenzonitrile?
The canonical SMILES for 2-chloro-6-cyclopropylbenzonitrile is N#Cc1c(Cl)cccc1C1CC1.
What is the InChIKey of 2-chloro-6-cyclopropylbenzonitrile?
The InChIKey is WUTMXEGITYPZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c11-10-3-1-2-8(7-4-5-7)9(10)6-12/h1-3,7H,4-5H2.
What are the key properties of 2-chloro-6-cyclopropylbenzonitrile?
2-chloro-6-cyclopropylbenzonitrile has a molecular weight of 177.63 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropylbenzonitrile is sourced from PubChem (CID 130067667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).