(3-cyano-2-hydroxyphenyl)azanium

C7H7N2O+ — CID 171811404

IUPAC(3-cyano-2-hydroxyphenyl)azanium
SMILESN#Cc1cccc([NH3+])c1O
InChIInChI=1S/C7H6N2O/c8-4-5-2-1-3-6(9)7(5)10/h1-3,10H,9H2/p+1
InChIKeyFMQVUWGTHZPXQU-UHFFFAOYSA-O
MW135.15 g/mol
LogP0.14
Rot. Bonds

About (3-cyano-2-hydroxyphenyl)azanium

(3-cyano-2-hydroxyphenyl)azanium (PubChem CID 171811404) has the molecular formula C7H7N2O+ and a molecular weight of 135.15 g/mol. Its IUPAC name is (3-cyano-2-hydroxyphenyl)azanium.

Molecular Properties

Compound Name(3-cyano-2-hydroxyphenyl)azanium
PubChem CID171811404
Molecular FormulaC7H7N2O+
Molecular Weight135.15 g/mol
Exact Mass135.06
IUPAC Name(3-cyano-2-hydroxyphenyl)azanium
SMILESN#Cc1cccc([NH3+])c1O
InChIInChI=1S/C7H6N2O/c8-4-5-2-1-3-6(9)7(5)10/h1-3,10H,9H2/p+1
InChIKeyFMQVUWGTHZPXQU-UHFFFAOYSA-O
XLogP0.14
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyanophenyl)azanium
CID 144921904
3-butan-2-yl-2-hydroxybenzonitrile
CID 67236185
3-(2-cyanoethyl)-2-hydroxybenzonitrile
CID 130865836
(3-cyano-2-hydroxyphenoxy)boronic acid
CID 155759558
3-[amino(cyano)methyl]-2-hydroxybenzonitrile
CID 130862955
azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
3-(1-amino-2-hydroxypropyl)-2-hydroxybenzonitrile
CID 130001192
3-(6-bromohexyl)-2-hydroxybenzonitrile
CID 140526945
3-[(1R)-1-amino-2-cyanoethyl]-2-hydroxybenzonitrile
CID 55262773
2-(sulfinylamino)benzonitrile
CID 12595709

Frequently Asked Questions

What is the IUPAC name of (3-cyano-2-hydroxyphenyl)azanium?
The IUPAC name of (3-cyano-2-hydroxyphenyl)azanium (CID 171811404) is (3-cyano-2-hydroxyphenyl)azanium.
What is the SMILES notation for (3-cyano-2-hydroxyphenyl)azanium?
The canonical SMILES for (3-cyano-2-hydroxyphenyl)azanium is N#Cc1cccc([NH3+])c1O.
What is the InChIKey of (3-cyano-2-hydroxyphenyl)azanium?
The InChIKey is FMQVUWGTHZPXQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6N2O/c8-4-5-2-1-3-6(9)7(5)10/h1-3,10H,9H2/p+1.
What are the key properties of (3-cyano-2-hydroxyphenyl)azanium?
(3-cyano-2-hydroxyphenyl)azanium has a molecular weight of 135.15 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-2-hydroxyphenyl)azanium is sourced from PubChem (CID 171811404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).