3-bromo-5-chloro-4-hydroxybenzonitrile

C7H3BrClNO — CID 14556305

IUPAC3-bromo-5-chloro-4-hydroxybenzonitrile
SMILESN#Cc1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C7H3BrClNO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKeyHUMVTCUIXLNMDF-UHFFFAOYSA-N
MW232.46 g/mol
LogP2.68
Rot. Bonds

About 3-bromo-5-chloro-4-hydroxybenzonitrile

3-bromo-5-chloro-4-hydroxybenzonitrile (PubChem CID 14556305) has the molecular formula C7H3BrClNO and a molecular weight of 232.46 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-bromo-5-chloro-4-hydroxybenzonitrile
PubChem CID14556305
Molecular FormulaC7H3BrClNO
Molecular Weight232.46 g/mol
Exact Mass230.91
IUPAC Name3-bromo-5-chloro-4-hydroxybenzonitrile
SMILESN#Cc1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C7H3BrClNO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKeyHUMVTCUIXLNMDF-UHFFFAOYSA-N
XLogP2.68
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-hydroxybenzonitrile?
The IUPAC name of 3-bromo-5-chloro-4-hydroxybenzonitrile (CID 14556305) is 3-bromo-5-chloro-4-hydroxybenzonitrile.
What is the SMILES notation for 3-bromo-5-chloro-4-hydroxybenzonitrile?
The canonical SMILES for 3-bromo-5-chloro-4-hydroxybenzonitrile is N#Cc1cc(Cl)c(O)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-4-hydroxybenzonitrile?
The InChIKey is HUMVTCUIXLNMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H.
What are the key properties of 3-bromo-5-chloro-4-hydroxybenzonitrile?
3-bromo-5-chloro-4-hydroxybenzonitrile has a molecular weight of 232.46 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-4-hydroxybenzonitrile is sourced from PubChem (CID 14556305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).