2-chloro-5-hydroxybenzonitrile

C7H4ClNO — CID 10886138

IUPAC2-chloro-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)ccc1Cl
InChIInChI=1S/C7H4ClNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H
InChIKeyKGPMBYRSXTTZLG-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.92
Rot. Bonds

About 2-chloro-5-hydroxybenzonitrile

2-chloro-5-hydroxybenzonitrile (PubChem CID 10886138) has the molecular formula C7H4ClNO and a molecular weight of 153.57 g/mol. Its IUPAC name is 2-chloro-5-hydroxybenzonitrile.

Molecular Properties

Compound Name2-chloro-5-hydroxybenzonitrile
PubChem CID10886138
Molecular FormulaC7H4ClNO
Molecular Weight153.57 g/mol
Exact Mass153.00
IUPAC Name2-chloro-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)ccc1Cl
InChIInChI=1S/C7H4ClNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H
InChIKeyKGPMBYRSXTTZLG-UHFFFAOYSA-N
XLogP1.92
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxybenzonitrile?
The IUPAC name of 2-chloro-5-hydroxybenzonitrile (CID 10886138) is 2-chloro-5-hydroxybenzonitrile.
What is the SMILES notation for 2-chloro-5-hydroxybenzonitrile?
The canonical SMILES for 2-chloro-5-hydroxybenzonitrile is N#Cc1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxybenzonitrile?
The InChIKey is KGPMBYRSXTTZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO/c8-7-2-1-6(10)3-5(7)4-9/h1-3,10H.
What are the key properties of 2-chloro-5-hydroxybenzonitrile?
2-chloro-5-hydroxybenzonitrile has a molecular weight of 153.57 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxybenzonitrile is sourced from PubChem (CID 10886138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).