6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one

C15H10BrF2N3O — CID 166094580

IUPAC6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2cc(-c3cc(Br)c(F)nc3N)c(F)cc2c(=O)[nH]1
InChIInChI=1S/C15H10BrF2N3O/c1-6-2-7-3-9(12(17)5-8(7)15(22)20-6)10-4-11(16)13(18)21-14(10)19/h2-5H,1H3,(H2,19,21)(H,20,22)
InChIKeyVYXOJOBJDDIMPA-UHFFFAOYSA-N
MW366.17 g/mol
LogP3.52
Rot. Bonds1

About 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one

6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one (PubChem CID 166094580) has the molecular formula C15H10BrF2N3O and a molecular weight of 366.17 g/mol. Its IUPAC name is 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one
PubChem CID166094580
Molecular FormulaC15H10BrF2N3O
Molecular Weight366.17 g/mol
Exact Mass365.00
IUPAC Name6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2cc(-c3cc(Br)c(F)nc3N)c(F)cc2c(=O)[nH]1
InChIInChI=1S/C15H10BrF2N3O/c1-6-2-7-3-9(12(17)5-8(7)15(22)20-6)10-4-11(16)13(18)21-14(10)19/h2-5H,1H3,(H2,19,21)(H,20,22)
InChIKeyVYXOJOBJDDIMPA-UHFFFAOYSA-N
XLogP3.52
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one
CID 166094016
2-bromo-3-fluoro-10-methyl-5-sulfanyl-6,9-dihydroisoquinolino[7,6-c][1,8]naphthyridin-8-one
CID 166093942
7-fluoro-3-methyl-6-(trifluoromethyl)-2H-isoquinolin-1-one
CID 140679028
6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-4-fluoro-2H-isoquinolin-1-one
CID 166094292
6-[3-amino-6-[3-[(dimethylamino)methyl]-4-morpholin-4-ylphenyl]-5-fluoropyrazin-2-yl]-7-fluoro-3-methyl-2H-isoquinolin-1-one
CID 166092305
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
6,7-difluoro-2-methyl-3H-quinazolin-4-one
CID 135742282
5-bromo-6-fluoro-3-methoxypyridin-2-amine
CID 135201063
6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
CID 114517589
4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 137004922
4-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585524
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one?
The IUPAC name of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one (CID 166094580) is 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one is Cc1cc2cc(-c3cc(Br)c(F)nc3N)c(F)cc2c(=O)[nH]1.
What is the InChIKey of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one?
The InChIKey is VYXOJOBJDDIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3O/c1-6-2-7-3-9(12(17)5-8(7)15(22)20-6)10-4-11(16)13(18)21-14(10)19/h2-5H,1H3,(H2,19,21)(H,20,22).
What are the key properties of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one?
6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one has a molecular weight of 366.17 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-7-fluoro-3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 166094580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).