(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone

C16H9BrFNO — CID 103134060

IUPAC(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone
SMILESO=C(c1cc(Br)ccc1F)c1cccc2ccncc12
InChIInChI=1S/C16H9BrFNO/c17-11-4-5-15(18)13(8-11)16(20)12-3-1-2-10-6-7-19-9-14(10)12/h1-9H
InChIKeyBHRAZXWXDRBVQL-UHFFFAOYSA-N
MW330.16 g/mol
LogP4.37
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone

(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone (PubChem CID 103134060) has the molecular formula C16H9BrFNO and a molecular weight of 330.16 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone
PubChem CID103134060
Molecular FormulaC16H9BrFNO
Molecular Weight330.16 g/mol
Exact Mass328.99
IUPAC Name(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone
SMILESO=C(c1cc(Br)ccc1F)c1cccc2ccncc12
InChIInChI=1S/C16H9BrFNO/c17-11-4-5-15(18)13(8-11)16(20)12-3-1-2-10-6-7-19-9-14(10)12/h1-9H
InChIKeyBHRAZXWXDRBVQL-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

(5-bromo-2-chlorophenyl)-isoquinolin-8-ylmethanone
CID 103133962
(5-bromo-2-methylphenyl)-isoquinolin-8-ylmethanone
CID 103133974
(2-bromo-4-chlorophenyl)-isoquinolin-8-ylmethanone
CID 107996871
(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
CID 114885039
(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
CID 114970988
(2,4-dibromophenyl)-isoquinolin-5-ylmethanone
CID 107944438
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
(2-fluoro-6-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103134021
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
(2-amino-5-methoxyphenyl)-isoquinolin-8-ylmethanone
CID 103133497
isoquinoline-8-carboxylate
CID 86306452
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone (CID 103134060) is (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone is O=C(c1cc(Br)ccc1F)c1cccc2ccncc12.
What is the InChIKey of (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone?
The InChIKey is BHRAZXWXDRBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFNO/c17-11-4-5-15(18)13(8-11)16(20)12-3-1-2-10-6-7-19-9-14(10)12/h1-9H.
What are the key properties of (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone?
(5-bromo-2-fluorophenyl)-isoquinolin-8-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 (5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone is sourced from PubChem (CID 103134060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).