5-bromo-2-hydroxybenzonitrile

C7H4BrNO — CID 2757014

IUPAC5-bromo-2-hydroxybenzonitrile
SMILESN#Cc1cc(Br)ccc1O
InChIInChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKeyPVCONXMDUZOPJH-UHFFFAOYSA-N
MW198.02 g/mol
LogP2.03
Rot. Bonds

About 5-bromo-2-hydroxybenzonitrile

5-bromo-2-hydroxybenzonitrile (PubChem CID 2757014) has the molecular formula C7H4BrNO and a molecular weight of 198.02 g/mol. Its IUPAC name is 5-bromo-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-bromo-2-hydroxybenzonitrile
PubChem CID2757014
Molecular FormulaC7H4BrNO
Molecular Weight198.02 g/mol
Exact Mass196.95
IUPAC Name5-bromo-2-hydroxybenzonitrile
SMILESN#Cc1cc(Br)ccc1O
InChIInChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
InChIKeyPVCONXMDUZOPJH-UHFFFAOYSA-N
XLogP2.03
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxybenzonitrile?
The IUPAC name of 5-bromo-2-hydroxybenzonitrile (CID 2757014) is 5-bromo-2-hydroxybenzonitrile.
What is the SMILES notation for 5-bromo-2-hydroxybenzonitrile?
The canonical SMILES for 5-bromo-2-hydroxybenzonitrile is N#Cc1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxybenzonitrile?
The InChIKey is PVCONXMDUZOPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H.
What are the key properties of 5-bromo-2-hydroxybenzonitrile?
5-bromo-2-hydroxybenzonitrile has a molecular weight of 198.02 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxybenzonitrile is sourced from PubChem (CID 2757014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).