2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile

C11H6Br2N2 — CID 112618353

IUPAC2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
SMILESN#CC(Br)c1ccc(Br)c2cccnc12
InChIInChI=1S/C11H6Br2N2/c12-9-4-3-8(10(13)6-14)11-7(9)2-1-5-15-11/h1-5,10H
InChIKeyWDJOCUVINNACHY-UHFFFAOYSA-N
MW325.99 g/mol
LogP3.96
Rot. Bonds1

About 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile

2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile (PubChem CID 112618353) has the molecular formula C11H6Br2N2 and a molecular weight of 325.99 g/mol. Its IUPAC name is 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile.

Molecular Properties

Compound Name2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
PubChem CID112618353
Molecular FormulaC11H6Br2N2
Molecular Weight325.99 g/mol
Exact Mass323.89
IUPAC Name2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
SMILESN#CC(Br)c1ccc(Br)c2cccnc12
InChIInChI=1S/C11H6Br2N2/c12-9-4-3-8(10(13)6-14)11-7(9)2-1-5-15-11/h1-5,10H
InChIKeyWDJOCUVINNACHY-UHFFFAOYSA-N
XLogP3.96
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.99
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-2-(5-bromoquinolin-8-yl)acetonitrile
CID 115959570
(5-bromoquinolin-8-yl)-(2,3-difluorophenyl)methanol
CID 115959915
(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol
CID 115959949
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
CID 103940793
8-bromo-5-propan-2-ylquinoline
CID 22716768
5-bromoquinolin-8-ol;nickel
CID 175092761
5-bromoquinoline-8-carbonitrile;methane;5-methylquinoline-8-carbonitrile
CID 158963770
(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 115959866
2-[(5-bromoquinolin-8-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 115960370
5-bromo-8-ethoxyquinoline
CID 100612531
1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
CID 112618176

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile?
The IUPAC name of 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile (CID 112618353) is 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile.
What is the SMILES notation for 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile?
The canonical SMILES for 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile is N#CC(Br)c1ccc(Br)c2cccnc12.
What is the InChIKey of 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile?
The InChIKey is WDJOCUVINNACHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2/c12-9-4-3-8(10(13)6-14)11-7(9)2-1-5-15-11/h1-5,10H.
What are the key properties of 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile?
2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile has a molecular weight of 325.99 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile is sourced from PubChem (CID 112618353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).