2-(5-bromofuran-2-yl)hexanenitrile

C10H12BrNO — CID 70543529

IUPAC2-(5-bromofuran-2-yl)hexanenitrile
SMILESCCCCC(C#N)c1ccc(Br)o1
InChIInChI=1S/C10H12BrNO/c1-2-3-4-8(7-12)9-5-6-10(11)13-9/h5-6,8H,2-4H2,1H3
InChIKeyLRTJQNSWNLUJHZ-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.84
Rot. Bonds4

About 2-(5-bromofuran-2-yl)hexanenitrile

2-(5-bromofuran-2-yl)hexanenitrile (PubChem CID 70543529) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)hexanenitrile.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)hexanenitrile
PubChem CID70543529
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name2-(5-bromofuran-2-yl)hexanenitrile
SMILESCCCCC(C#N)c1ccc(Br)o1
InChIInChI=1S/C10H12BrNO/c1-2-3-4-8(7-12)9-5-6-10(11)13-9/h5-6,8H,2-4H2,1H3
InChIKeyLRTJQNSWNLUJHZ-UHFFFAOYSA-N
XLogP3.84
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Bromophenyl)furan-2-carbonitrile
CID 4625493
4-(5-Methylfuran-2-carbonyl)hexanenitrile
CID 255170
2-Amino-4-(5-bromofuran-2-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
CID 2839134
2-((5-(2-Bromophenyl)-2-furyl)methylene)malononitrile
CID 7275195
(2E)-3-(4,5-dibromo(2-furyl))-2-phenylprop-2-enenitrile
CID 7275681
3-Bromo-2-butyl-5-methylfuran
CID 638450
5-Propylpyromuconitrile
CID 12141605
2-Sec-butyl-5-methylfuran
CID 12464964
2-(p-Bromophenyl)-5-methylfuran
CID 13356219
4-(5-Bromofuran-2-yl)benzonitrile
CID 23156952
5-Bromoethyl-2-cyanofuran
CID 129763746
3-(5-Bromo-2-furyl)-2-(4-fluorophenyl)acrylonitrile
CID 2224950

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)hexanenitrile?
The IUPAC name of 2-(5-bromofuran-2-yl)hexanenitrile (CID 70543529) is 2-(5-bromofuran-2-yl)hexanenitrile.
What is the SMILES notation for 2-(5-bromofuran-2-yl)hexanenitrile?
The canonical SMILES for 2-(5-bromofuran-2-yl)hexanenitrile is CCCCC(C#N)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)hexanenitrile?
The InChIKey is LRTJQNSWNLUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-3-4-8(7-12)9-5-6-10(11)13-9/h5-6,8H,2-4H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)hexanenitrile?
2-(5-bromofuran-2-yl)hexanenitrile has a molecular weight of 242.12 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)hexanenitrile is sourced from PubChem (CID 70543529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).