(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone

C16H9BrFNO — CID 115789832

IUPAC(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
SMILESO=C(c1cc(F)ccc1Br)c1cccc2ncccc12
InChIInChI=1S/C16H9BrFNO/c17-14-7-6-10(18)9-13(14)16(20)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H
InChIKeyBIJYVNUQLXSVKJ-UHFFFAOYSA-N
MW330.16 g/mol
LogP4.37
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone

(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone (PubChem CID 115789832) has the molecular formula C16H9BrFNO and a molecular weight of 330.16 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
PubChem CID115789832
Molecular FormulaC16H9BrFNO
Molecular Weight330.16 g/mol
Exact Mass328.99
IUPAC Name(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
SMILESO=C(c1cc(F)ccc1Br)c1cccc2ncccc12
InChIInChI=1S/C16H9BrFNO/c17-14-7-6-10(18)9-13(14)16(20)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H
InChIKeyBIJYVNUQLXSVKJ-UHFFFAOYSA-N
XLogP4.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(2,5-difluorophenyl)-quinolin-4-ylmethanone
CID 86811170
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
CID 106647422
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
(3-bromofuran-2-yl)-quinolin-5-ylmethanone
CID 105101672
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone
CID 115789920
2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone
CID 81197710
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone (CID 115789832) is (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone is O=C(c1cc(F)ccc1Br)c1cccc2ncccc12.
What is the InChIKey of (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone?
The InChIKey is BIJYVNUQLXSVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO/c17-14-7-6-10(18)9-13(14)16(20)12-3-1-5-15-11(12)4-2-8-19-15/h1-9H.
What are the key properties of (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone?
(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone has a molecular weight of 330.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 115789832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).