2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile

C11H6BrFN2 — CID 138755822

IUPAC2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile
SMILESN#CCc1cnc2c(F)cc(Br)cc2c1
InChIInChI=1S/C11H6BrFN2/c12-9-4-8-3-7(1-2-14)6-15-11(8)10(13)5-9/h3-6H,1H2
InChIKeyAIWDCSRWRQAXHK-UHFFFAOYSA-N
MW265.09 g/mol
LogP3.20
Rot. Bonds1

About 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile

2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile (PubChem CID 138755822) has the molecular formula C11H6BrFN2 and a molecular weight of 265.09 g/mol. Its IUPAC name is 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile
PubChem CID138755822
Molecular FormulaC11H6BrFN2
Molecular Weight265.09 g/mol
Exact Mass263.97
IUPAC Name2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile
SMILESN#CCc1cnc2c(F)cc(Br)cc2c1
InChIInChI=1S/C11H6BrFN2/c12-9-4-8-3-7(1-2-14)6-15-11(8)10(13)5-9/h3-6H,1H2
InChIKeyAIWDCSRWRQAXHK-UHFFFAOYSA-N
XLogP3.20
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.09
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793428
2-(6-cyclopropyl-5-fluoro-3-pyridinyl)acetonitrile
CID 165402934
2-(5-bromo-2,3-difluorophenyl)acetonitrile
CID 84795160
2-(2,4-dibromo-6-fluorophenyl)acetonitrile
CID 2773983
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125
5-bromo-2-(bromomethyl)-1,3-difluorobenzene;2-(4-bromo-2,6-difluorophenyl)acetonitrile
CID 160735694
3,6,8-tribromoquinoline
CID 91172401
6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
CID 24689998
2-(5-fluoro-3-pyridinyl)acetonitrile
CID 53403707
2-(5-bromo-3-fluoro-2-methylphenyl)acetonitrile
CID 131628335
2-(7-hydroxyquinolin-3-yl)acetonitrile
CID 137194392
2-(2-chloro-[1,3]thiazolo[4,5-b]pyridin-6-yl)acetonitrile
CID 76850411

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile?
The IUPAC name of 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile (CID 138755822) is 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile.
What is the SMILES notation for 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile?
The canonical SMILES for 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile is N#CCc1cnc2c(F)cc(Br)cc2c1.
What is the InChIKey of 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile?
The InChIKey is AIWDCSRWRQAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2/c12-9-4-8-3-7(1-2-14)6-15-11(8)10(13)5-9/h3-6H,1H2.
What are the key properties of 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile?
2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile has a molecular weight of 265.09 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-8-fluoroquinolin-3-yl)acetonitrile is sourced from PubChem (CID 138755822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).