4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile

C10H9Br2NO2 — CID 171902047

IUPAC4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H9Br2NO2/c11-6-1-2-8(12)7(5-6)10(15)9(14)3-4-13/h1-2,5,9-10,14-15H,3H2
InChIKeyOWAAJZGXYQHLSN-UHFFFAOYSA-N
MW335.00 g/mol
LogP2.52
Rot. Bonds3

About 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile

4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile (PubChem CID 171902047) has the molecular formula C10H9Br2NO2 and a molecular weight of 335.00 g/mol. Its IUPAC name is 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile.

Molecular Properties

Compound Name4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile
PubChem CID171902047
Molecular FormulaC10H9Br2NO2
Molecular Weight335.00 g/mol
Exact Mass332.90
IUPAC Name4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1cc(Br)ccc1Br
InChIInChI=1S/C10H9Br2NO2/c11-6-1-2-8(12)7(5-6)10(15)9(14)3-4-13/h1-2,5,9-10,14-15H,3H2
InChIKeyOWAAJZGXYQHLSN-UHFFFAOYSA-N
XLogP2.52
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.00
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-3-methylphenyl)-3,4-dihydroxybutanenitrile
CID 171902029
2,2-dichloro-1-(2,5-dibromophenyl)ethanol
CID 163445311
3,4-dihydroxy-4-(2-hydroxyphenyl)butanenitrile
CID 171900402
4-(5-bromo-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171902022
3,4-dihydroxy-4-phenanthren-9-ylbutanenitrile
CID 171901989
1,4-dibromo-2-hex-4-yn-2-ylbenzene
CID 83925838
3-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]butanenitrile
CID 82970578
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036
1-(2,5-dibromophenyl)-3-methylbutan-1-ol
CID 61100587
4-(5-amino-2-methoxyphenyl)-3,4-dihydroxybutanenitrile
CID 171901094
3-(3-cyano-1,2-dihydroxypropyl)-4-methoxybenzonitrile
CID 171901456
4-(3-cyano-1,2-dihydroxypropyl)-3-hydroxybenzoic acid
CID 171901327

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile?
The IUPAC name of 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile (CID 171902047) is 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile.
What is the SMILES notation for 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile?
The canonical SMILES for 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile is N#CCC(O)C(O)c1cc(Br)ccc1Br.
What is the InChIKey of 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile?
The InChIKey is OWAAJZGXYQHLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2/c11-6-1-2-8(12)7(5-6)10(15)9(14)3-4-13/h1-2,5,9-10,14-15H,3H2.
What are the key properties of 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile?
4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile has a molecular weight of 335.00 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dibromophenyl)-3,4-dihydroxybutanenitrile is sourced from PubChem (CID 171902047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).