4-bromobutanenitrile;5-bromopentanenitrile

C9H14Br2N2 — CID 88806001

IUPAC4-bromobutanenitrile;5-bromopentanenitrile
SMILESN#CCCCBr.N#CCCCCBr
InChIInChI=1S/C5H8BrN.C4H6BrN/c6-4-2-1-3-5-7;5-3-1-2-4-6/h1-4H2;1-3H2
InChIKeyGWJQRLRVQKJSJR-UHFFFAOYSA-N
MW310.03 g/mol
LogP3.76
Rot. Bonds5

About 4-bromobutanenitrile;5-bromopentanenitrile

4-bromobutanenitrile;5-bromopentanenitrile (PubChem CID 88806001) has the molecular formula C9H14Br2N2 and a molecular weight of 310.03 g/mol. Its IUPAC name is 4-bromobutanenitrile;5-bromopentanenitrile.

Molecular Properties

Compound Name4-bromobutanenitrile;5-bromopentanenitrile
PubChem CID88806001
Molecular FormulaC9H14Br2N2
Molecular Weight310.03 g/mol
Exact Mass307.95
IUPAC Name4-bromobutanenitrile;5-bromopentanenitrile
SMILESN#CCCCBr.N#CCCCCBr
InChIInChI=1S/C5H8BrN.C4H6BrN/c6-4-2-1-3-5-7;5-3-1-2-4-6/h1-4H2;1-3H2
InChIKeyGWJQRLRVQKJSJR-UHFFFAOYSA-N
XLogP3.76
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.03
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

henicosanedinitrile
CID 87345062
4-bromobutanenitrile;prop-2-enoic acid
CID 175406699
5-bromopentanenitrile;4-cyanobutyl nitrate;nitric acid;silver
CID 160578507
ethane;5-hydroxypentanenitrile
CID 144859936
5-silylpentanenitrile
CID 173242016
1,5-dibromopentane;molecular nitrogen
CID 164869645
hexadeca-6,8,10-triynedinitrile
CID 171119204
undecanenitrile
CID 16722
octadecanenitrile
CID 12532
12-silyldodecanenitrile
CID 150980762
1,40-dibromotetracontane
CID 11614635
3-bromo-2-(2-bromoethyl)heptanedinitrile
CID 88806000

Frequently Asked Questions

What is the IUPAC name of 4-bromobutanenitrile;5-bromopentanenitrile?
The IUPAC name of 4-bromobutanenitrile;5-bromopentanenitrile (CID 88806001) is 4-bromobutanenitrile;5-bromopentanenitrile.
What is the SMILES notation for 4-bromobutanenitrile;5-bromopentanenitrile?
The canonical SMILES for 4-bromobutanenitrile;5-bromopentanenitrile is N#CCCCBr.N#CCCCCBr.
What is the InChIKey of 4-bromobutanenitrile;5-bromopentanenitrile?
The InChIKey is GWJQRLRVQKJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN.C4H6BrN/c6-4-2-1-3-5-7;5-3-1-2-4-6/h1-4H2;1-3H2.
What are the key properties of 4-bromobutanenitrile;5-bromopentanenitrile?
4-bromobutanenitrile;5-bromopentanenitrile has a molecular weight of 310.03 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutanenitrile;5-bromopentanenitrile is sourced from PubChem (CID 88806001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).