3-hydroxybenzonitrile

C7H5NO — CID 13394

IUPAC3-hydroxybenzonitrile
SMILESN#Cc1cccc(O)c1
InChIInChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
InChIKeySGHBRHKBCLLVCI-UHFFFAOYSA-N
MW119.12 g/mol
LogP1.26
Rot. Bonds

About 3-hydroxybenzonitrile

3-hydroxybenzonitrile (PubChem CID 13394) has the molecular formula C7H5NO and a molecular weight of 119.12 g/mol. Its IUPAC name is 3-hydroxybenzonitrile.

Molecular Properties

Compound Name3-hydroxybenzonitrile
PubChem CID13394
Molecular FormulaC7H5NO
Molecular Weight119.12 g/mol
Exact Mass119.04
IUPAC Name3-hydroxybenzonitrile
SMILESN#Cc1cccc(O)c1
InChIInChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H
InChIKeySGHBRHKBCLLVCI-UHFFFAOYSA-N
XLogP1.26
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

M-Cresol
CID 342
Ioxynil
CID 15530
3-Ethylphenol
CID 12101
4-Hydroxybenzyl cyanide
CID 26548
4-Cyanophenol
CID 13019
4-Hydroxybenzylidenemalononitrile
CID 92970
2-Hydroxybenzonitrile
CID 11907
3-(Trifluoromethyl)phenol
CID 7376
Tyrphostin 23
CID 2052
3,4-Dihydroxybenzonitrile
CID 87065
2-Fluoro-4-hydroxybenzonitrile
CID 2734675
3-Propylphenol
CID 69302

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybenzonitrile?
The IUPAC name of 3-hydroxybenzonitrile (CID 13394) is 3-hydroxybenzonitrile.
What is the SMILES notation for 3-hydroxybenzonitrile?
The canonical SMILES for 3-hydroxybenzonitrile is N#Cc1cccc(O)c1.
What is the InChIKey of 3-hydroxybenzonitrile?
The InChIKey is SGHBRHKBCLLVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H.
What are the key properties of 3-hydroxybenzonitrile?
3-hydroxybenzonitrile has a molecular weight of 119.12 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzonitrile is sourced from PubChem (CID 13394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).