(2-cyanophenyl)azanium

C7H7N2+ — CID 144921904

IUPAC(2-cyanophenyl)azanium
SMILESN#Cc1ccccc1[NH3+]
InChIInChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2/p+1
InChIKeyHLCPWBZNUKCSBN-UHFFFAOYSA-O
MW119.15 g/mol
LogP0.43
Rot. Bonds

About (2-cyanophenyl)azanium

(2-cyanophenyl)azanium (PubChem CID 144921904) has the molecular formula C7H7N2+ and a molecular weight of 119.15 g/mol. Its IUPAC name is (2-cyanophenyl)azanium.

Molecular Properties

Compound Name(2-cyanophenyl)azanium
PubChem CID144921904
Molecular FormulaC7H7N2+
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Name(2-cyanophenyl)azanium
SMILESN#Cc1ccccc1[NH3+]
InChIInChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2/p+1
InChIKeyHLCPWBZNUKCSBN-UHFFFAOYSA-O
XLogP0.43
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-cyanophenyl)azanium?
The IUPAC name of (2-cyanophenyl)azanium (CID 144921904) is (2-cyanophenyl)azanium.
What is the SMILES notation for (2-cyanophenyl)azanium?
The canonical SMILES for (2-cyanophenyl)azanium is N#Cc1ccccc1[NH3+].
What is the InChIKey of (2-cyanophenyl)azanium?
The InChIKey is HLCPWBZNUKCSBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2/p+1.
What are the key properties of (2-cyanophenyl)azanium?
(2-cyanophenyl)azanium has a molecular weight of 119.15 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanophenyl)azanium is sourced from PubChem (CID 144921904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).