2-(6-bromoquinolin-8-yl)acetonitrile

C11H7BrN2 — CID 54593004

IUPAC2-(6-bromoquinolin-8-yl)acetonitrile
SMILESN#CCc1cc(Br)cc2cccnc12
InChIInChI=1S/C11H7BrN2/c12-10-6-8-2-1-5-14-11(8)9(7-10)3-4-13/h1-2,5-7H,3H2
InChIKeyUCGFHCARBVGRIU-UHFFFAOYSA-N
MW247.09 g/mol
LogP3.06
Rot. Bonds1

About 2-(6-bromoquinolin-8-yl)acetonitrile

2-(6-bromoquinolin-8-yl)acetonitrile (PubChem CID 54593004) has the molecular formula C11H7BrN2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 2-(6-bromoquinolin-8-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-bromoquinolin-8-yl)acetonitrile
PubChem CID54593004
Molecular FormulaC11H7BrN2
Molecular Weight247.09 g/mol
Exact Mass245.98
IUPAC Name2-(6-bromoquinolin-8-yl)acetonitrile
SMILESN#CCc1cc(Br)cc2cccnc12
InChIInChI=1S/C11H7BrN2/c12-10-6-8-2-1-5-14-11(8)9(7-10)3-4-13/h1-2,5-7H,3H2
InChIKeyUCGFHCARBVGRIU-UHFFFAOYSA-N
XLogP3.06
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-(triazol-1-ylmethyl)quinoline
CID 91661151
2-(1,5-naphthyridin-4-yl)acetonitrile
CID 131154765
6-bromo-8-[(3-methyloxetan-3-yl)methylsulfanylmethyl]quinoline
CID 167952288
[amino-[[6-(cyanomethyl)quinolin-8-yl]methylsulfanyl]methylidene]-(chloromethylidene)azanium
CID 123680628
3-bromo-1,10-phenanthroline;ruthenium
CID 59061228
2-(2-amino-6-bromo-1H-benzimidazol-4-yl)acetonitrile
CID 130865843
1-(1,3-benzodioxol-5-yl)-N-[(6-bromoquinolin-8-yl)methyl]-N-methylmethanamine
CID 71880673
4-bromo-2-(quinolin-8-ylmethylamino)benzonitrile
CID 114902063
1-[(6-bromoquinolin-8-yl)methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119919750
2-[5-bromo-3-(cyanomethyl)-2-phenylmethoxyphenyl]acetonitrile
CID 123197121
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
[4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 166362541

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-8-yl)acetonitrile?
The IUPAC name of 2-(6-bromoquinolin-8-yl)acetonitrile (CID 54593004) is 2-(6-bromoquinolin-8-yl)acetonitrile.
What is the SMILES notation for 2-(6-bromoquinolin-8-yl)acetonitrile?
The canonical SMILES for 2-(6-bromoquinolin-8-yl)acetonitrile is N#CCc1cc(Br)cc2cccnc12.
What is the InChIKey of 2-(6-bromoquinolin-8-yl)acetonitrile?
The InChIKey is UCGFHCARBVGRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c12-10-6-8-2-1-5-14-11(8)9(7-10)3-4-13/h1-2,5-7H,3H2.
What are the key properties of 2-(6-bromoquinolin-8-yl)acetonitrile?
2-(6-bromoquinolin-8-yl)acetonitrile has a molecular weight of 247.09 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-8-yl)acetonitrile is sourced from PubChem (CID 54593004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).