(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone

C16H9BrFNO — CID 114885354

IUPAC(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone
SMILESO=C(c1c(F)cccc1Br)c1cncc2ccccc12
InChIInChI=1S/C16H9BrFNO/c17-13-6-3-7-14(18)15(13)16(20)12-9-19-8-10-4-1-2-5-11(10)12/h1-9H
InChIKeyMPOZLEWHEZLUEU-UHFFFAOYSA-N
MW330.16 g/mol
LogP4.37
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone

(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone (PubChem CID 114885354) has the molecular formula C16H9BrFNO and a molecular weight of 330.16 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone
PubChem CID114885354
Molecular FormulaC16H9BrFNO
Molecular Weight330.16 g/mol
Exact Mass328.99
IUPAC Name(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone
SMILESO=C(c1c(F)cccc1Br)c1cncc2ccccc12
InChIInChI=1S/C16H9BrFNO/c17-13-6-3-7-14(18)15(13)16(20)12-9-19-8-10-4-1-2-5-11(10)12/h1-9H
InChIKeyMPOZLEWHEZLUEU-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

(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
CID 107976832
(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
CID 63939195
(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971945
(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone
CID 114561157
(4-bromo-3-chlorophenyl)-isoquinolin-4-ylmethanone
CID 114971956
(4-bromo-3-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971892
isoquinolin-4-yl(pyrimidin-2-yl)methanone
CID 63939192
(4-bromo-3,5-dimethylphenyl)-isoquinolin-4-ylmethanone
CID 114329672
isoquinolin-4-yl(pyridin-2-yl)methanone
CID 63940731
2-bromo-6-fluoro-N-naphthalen-1-ylbenzamide
CID 115678062
isoquinolin-4-yl-(4-methylsulfanylphenyl)methanone
CID 114971965
2-(2-bromophenyl)sulfanyl-1-isoquinolin-4-ylethanone
CID 66143848

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone (CID 114885354) is (2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone is O=C(c1c(F)cccc1Br)c1cncc2ccccc12.
What is the InChIKey of (2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone?
The InChIKey is MPOZLEWHEZLUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO/c17-13-6-3-7-14(18)15(13)16(20)12-9-19-8-10-4-1-2-5-11(10)12/h1-9H.
What are the key properties of (2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone?
(2-bromo-6-fluorophenyl)-isoquinolin-4-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-6-fluorophenyl)-isoquinolin-4-ylmethanone is sourced from PubChem (CID 114885354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).