3-amino-2-hydroxy-6-methylbenzonitrile

C8H8N2O — CID 21184585

IUPAC3-amino-2-hydroxy-6-methylbenzonitrile
SMILESCc1ccc(N)c(O)c1C#N
InChIInChI=1S/C8H8N2O/c1-5-2-3-7(10)8(11)6(5)4-9/h2-3,11H,10H2,1H3
InChIKeyNTUMBWHJAMGXFO-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.15
Rot. Bonds

About 3-amino-2-hydroxy-6-methylbenzonitrile

3-amino-2-hydroxy-6-methylbenzonitrile (PubChem CID 21184585) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-amino-2-hydroxy-6-methylbenzonitrile.

Molecular Properties

Compound Name3-amino-2-hydroxy-6-methylbenzonitrile
PubChem CID21184585
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-amino-2-hydroxy-6-methylbenzonitrile
SMILESCc1ccc(N)c(O)c1C#N
InChIInChI=1S/C8H8N2O/c1-5-2-3-7(10)8(11)6(5)4-9/h2-3,11H,10H2,1H3
InChIKeyNTUMBWHJAMGXFO-UHFFFAOYSA-N
XLogP1.15
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-fluoro-6-methylbenzonitrile
CID 83410294
2,6-diamino-3-methylbenzonitrile
CID 19079945
3,6-dihydroxybenzene-1,2-dicarbonitrile;3,6-dimethylbenzene-1,2-dicarbonitrile
CID 169425543
(2S)-2-amino-2-(3-amino-2-hydroxy-6-methylphenyl)acetonitrile
CID 131008413
3-amino-2-(2-chloroacetyl)-6-methylbenzonitrile
CID 171012587
ethyl 2-(3-cyano-2-hydroxy-4-methylphenyl)acetate
CID 134632991
2-amino-6-methylbenzonitrile;ethane
CID 164904428
6-fluoro-2-hydroxy-3-methylbenzonitrile
CID 88974968
3-amino-N-(2-cyano-3-methylphenyl)-2-hydroxybenzamide
CID 107802431
2,3-diamino-6-hydroxybenzonitrile
CID 171010928
3-amino-2,6-dimethylphenol;hydrochloride
CID 21322807
2-(hydroxymethyl)-3,6-dimethylbenzonitrile
CID 171015618

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-6-methylbenzonitrile?
The IUPAC name of 3-amino-2-hydroxy-6-methylbenzonitrile (CID 21184585) is 3-amino-2-hydroxy-6-methylbenzonitrile.
What is the SMILES notation for 3-amino-2-hydroxy-6-methylbenzonitrile?
The canonical SMILES for 3-amino-2-hydroxy-6-methylbenzonitrile is Cc1ccc(N)c(O)c1C#N.
What is the InChIKey of 3-amino-2-hydroxy-6-methylbenzonitrile?
The InChIKey is NTUMBWHJAMGXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-2-3-7(10)8(11)6(5)4-9/h2-3,11H,10H2,1H3.
What are the key properties of 3-amino-2-hydroxy-6-methylbenzonitrile?
3-amino-2-hydroxy-6-methylbenzonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-6-methylbenzonitrile is sourced from PubChem (CID 21184585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).