2,6-dichloro-4-cyclopropylbenzonitrile

C10H7Cl2N — CID 167443793

IUPAC2,6-dichloro-4-cyclopropylbenzonitrile
SMILESN#Cc1c(Cl)cc(C2CC2)cc1Cl
InChIInChI=1S/C10H7Cl2N/c11-9-3-7(6-1-2-6)4-10(12)8(9)5-13/h3-4,6H,1-2H2
InChIKeyRQRJHSVIZDHANI-UHFFFAOYSA-N
MW212.08 g/mol
LogP3.74
Rot. Bonds1

About 2,6-dichloro-4-cyclopropylbenzonitrile

2,6-dichloro-4-cyclopropylbenzonitrile (PubChem CID 167443793) has the molecular formula C10H7Cl2N and a molecular weight of 212.08 g/mol. Its IUPAC name is 2,6-dichloro-4-cyclopropylbenzonitrile.

Molecular Properties

Compound Name2,6-dichloro-4-cyclopropylbenzonitrile
PubChem CID167443793
Molecular FormulaC10H7Cl2N
Molecular Weight212.08 g/mol
Exact Mass211.00
IUPAC Name2,6-dichloro-4-cyclopropylbenzonitrile
SMILESN#Cc1c(Cl)cc(C2CC2)cc1Cl
InChIInChI=1S/C10H7Cl2N/c11-9-3-7(6-1-2-6)4-10(12)8(9)5-13/h3-4,6H,1-2H2
InChIKeyRQRJHSVIZDHANI-UHFFFAOYSA-N
XLogP3.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-cyclopropylbenzonitrile?
The IUPAC name of 2,6-dichloro-4-cyclopropylbenzonitrile (CID 167443793) is 2,6-dichloro-4-cyclopropylbenzonitrile.
What is the SMILES notation for 2,6-dichloro-4-cyclopropylbenzonitrile?
The canonical SMILES for 2,6-dichloro-4-cyclopropylbenzonitrile is N#Cc1c(Cl)cc(C2CC2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-cyclopropylbenzonitrile?
The InChIKey is RQRJHSVIZDHANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N/c11-9-3-7(6-1-2-6)4-10(12)8(9)5-13/h3-4,6H,1-2H2.
What are the key properties of 2,6-dichloro-4-cyclopropylbenzonitrile?
2,6-dichloro-4-cyclopropylbenzonitrile has a molecular weight of 212.08 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-cyclopropylbenzonitrile is sourced from PubChem (CID 167443793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).