2-chlorobenzonitrile;hydron

C7H5ClN+ — CID 131860473

IUPAC2-chlorobenzonitrile;hydron
SMILESN#Cc1ccccc1Cl.[H+]
InChIInChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H/p+1
InChIKeyNHWQMJMIYICNBP-UHFFFAOYSA-O
MW138.58 g/mol
LogP2.32
Rot. Bonds

About 2-chlorobenzonitrile;hydron

2-chlorobenzonitrile;hydron (PubChem CID 131860473) has the molecular formula C7H5ClN+ and a molecular weight of 138.58 g/mol. Its IUPAC name is 2-chlorobenzonitrile;hydron.

Molecular Properties

Compound Name2-chlorobenzonitrile;hydron
PubChem CID131860473
Molecular FormulaC7H5ClN+
Molecular Weight138.58 g/mol
Exact Mass138.01
IUPAC Name2-chlorobenzonitrile;hydron
SMILESN#Cc1ccccc1Cl.[H+]
InChIInChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H/p+1
InChIKeyNHWQMJMIYICNBP-UHFFFAOYSA-O
XLogP2.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.58
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzonitrile;hydron?
The IUPAC name of 2-chlorobenzonitrile;hydron (CID 131860473) is 2-chlorobenzonitrile;hydron.
What is the SMILES notation for 2-chlorobenzonitrile;hydron?
The canonical SMILES for 2-chlorobenzonitrile;hydron is N#Cc1ccccc1Cl.[H+].
What is the InChIKey of 2-chlorobenzonitrile;hydron?
The InChIKey is NHWQMJMIYICNBP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H/p+1.
What are the key properties of 2-chlorobenzonitrile;hydron?
2-chlorobenzonitrile;hydron has a molecular weight of 138.58 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzonitrile;hydron is sourced from PubChem (CID 131860473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).