2-fluoro-5-hydroxybenzonitrile;hydrochloride

C7H5ClFNO — CID 145086137

IUPAC2-fluoro-5-hydroxybenzonitrile;hydrochloride
SMILESCl.N#Cc1cc(O)ccc1F
InChIInChI=1S/C7H4FNO.ClH/c8-7-2-1-6(10)3-5(7)4-9;/h1-3,10H;1H
InChIKeyPICDYZKPVYUNIL-UHFFFAOYSA-N
MW173.57 g/mol
LogP1.82
Rot. Bonds

About 2-fluoro-5-hydroxybenzonitrile;hydrochloride

2-fluoro-5-hydroxybenzonitrile;hydrochloride (PubChem CID 145086137) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is 2-fluoro-5-hydroxybenzonitrile;hydrochloride.

Molecular Properties

Compound Name2-fluoro-5-hydroxybenzonitrile;hydrochloride
PubChem CID145086137
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC Name2-fluoro-5-hydroxybenzonitrile;hydrochloride
SMILESCl.N#Cc1cc(O)ccc1F
InChIInChI=1S/C7H4FNO.ClH/c8-7-2-1-6(10)3-5(7)4-9;/h1-3,10H;1H
InChIKeyPICDYZKPVYUNIL-UHFFFAOYSA-N
XLogP1.82
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-hydroxybenzonitrile;hydrochloride?
The IUPAC name of 2-fluoro-5-hydroxybenzonitrile;hydrochloride (CID 145086137) is 2-fluoro-5-hydroxybenzonitrile;hydrochloride.
What is the SMILES notation for 2-fluoro-5-hydroxybenzonitrile;hydrochloride?
The canonical SMILES for 2-fluoro-5-hydroxybenzonitrile;hydrochloride is Cl.N#Cc1cc(O)ccc1F.
What is the InChIKey of 2-fluoro-5-hydroxybenzonitrile;hydrochloride?
The InChIKey is PICDYZKPVYUNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO.ClH/c8-7-2-1-6(10)3-5(7)4-9;/h1-3,10H;1H.
What are the key properties of 2-fluoro-5-hydroxybenzonitrile;hydrochloride?
2-fluoro-5-hydroxybenzonitrile;hydrochloride has a molecular weight of 173.57 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hydroxybenzonitrile;hydrochloride is sourced from PubChem (CID 145086137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).