1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile

C10H7BrClNO — CID 84809868

IUPAC1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(Br)c(Cl)c2O)CC1
InChIInChI=1S/C10H7BrClNO/c11-7-2-1-6(9(14)8(7)12)10(5-13)3-4-10/h1-2,14H,3-4H2
InChIKeyFQSQFIORKNWMKO-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.36
Rot. Bonds1

About 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile

1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 84809868) has the molecular formula C10H7BrClNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
PubChem CID84809868
Molecular FormulaC10H7BrClNO
Molecular Weight272.53 g/mol
Exact Mass270.94
IUPAC Name1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(Br)c(Cl)c2O)CC1
InChIInChI=1S/C10H7BrClNO/c11-7-2-1-6(9(14)8(7)12)10(5-13)3-4-10/h1-2,14H,3-4H2
InChIKeyFQSQFIORKNWMKO-UHFFFAOYSA-N
XLogP3.36
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-chloro-2-methoxyphenyl)cyclopropane-1-carbonitrile
CID 84813856
1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 84789379
1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile
CID 131587924
1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile
CID 84791665
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
1-(2-hydroxy-3-methoxyphenyl)cyclopropane-1-carbonitrile
CID 131297017
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84781942
1-(5-bromo-2-methylphenyl)cyclopropane-1-carbonitrile
CID 83716267
N-(4-bromo-2,3-dichlorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114001899
1-(5-bromo-4-chloro-2-fluorophenyl)cyclobutane-1-carbonitrile
CID 84814477
2-chloro-6-(1-cyanocyclopropyl)benzoic acid
CID 129080548

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile (CID 84809868) is 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile is N#CC1(c2ccc(Br)c(Cl)c2O)CC1.
What is the InChIKey of 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is FQSQFIORKNWMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNO/c11-7-2-1-6(9(14)8(7)12)10(5-13)3-4-10/h1-2,14H,3-4H2.
What are the key properties of 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile?
1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 272.53 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84809868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).