6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one

C15H10BrF2N3O — CID 166094016

IUPAC6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2cc(-c3cc(Br)c(F)nc3N)cc(F)c2c(=O)[nH]1
InChIInChI=1S/C15H10BrF2N3O/c1-6-2-8-3-7(4-11(17)12(8)15(22)20-6)9-5-10(16)13(18)21-14(9)19/h2-5H,1H3,(H2,19,21)(H,20,22)
InChIKeyQOQLPLMMFUZONV-UHFFFAOYSA-N
MW366.17 g/mol
LogP3.52
Rot. Bonds1

About 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one

6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one (PubChem CID 166094016) 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)-8-fluoro-3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one
PubChem CID166094016
Molecular FormulaC15H10BrF2N3O
Molecular Weight366.17 g/mol
Exact Mass365.00
IUPAC Name6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one
SMILESCc1cc2cc(-c3cc(Br)c(F)nc3N)cc(F)c2c(=O)[nH]1
InChIInChI=1S/C15H10BrF2N3O/c1-6-2-8-3-7(4-11(17)12(8)15(22)20-6)9-5-10(16)13(18)21-14(9)19/h2-5H,1H3,(H2,19,21)(H,20,22)
InChIKeyQOQLPLMMFUZONV-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'}

Analyze 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one with MolForge

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Related Compounds

N-(5-bromo-6-methylpyridin-2-yl)-2-methylbenzamide
CID 955825
N-(5-bromo-6-methylpyridin-2-yl)-4-tert-butylbenzamide
CID 955826
N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43520375
N-(5-bromo-6-methyl-2-pyridinyl)-4-fluorobenzamide
CID 834132
N-(5-bromo-6-methylpyridin-2-yl)-3-fluorobenzamide
CID 925730
N-(5-bromo-6-methylpyridin-2-yl)-4-cyano-2-fluorobenzamide
CID 2995114
N-[[5-(4-bromophenyl)-6-methyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
CID 13242711
N-[[5-(4-bromophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
CID 13502872
N-[[6-bromo-5-(4-bromophenyl)-2-pyridinyl]carbamoyl]-2,6-difluorobenzamide
CID 19073088
2-methyl-N-(7-oxo-8H-1,8-naphthyridin-2-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 24803559
N-(6-bromo-2-pyridinyl)-2,6-difluorobenzamide
CID 43520425
3-bromo-5-fluoro-N-(6-methyl-2-pyridinyl)benzamide
CID 44158091

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one?
The IUPAC name of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one (CID 166094016) is 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one is Cc1cc2cc(-c3cc(Br)c(F)nc3N)cc(F)c2c(=O)[nH]1.
What is the InChIKey of 6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-fluoro-3-methyl-2H-isoquinolin-1-one?
The InChIKey is QOQLPLMMFUZONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF2N3O/c1-6-2-8-3-7(4-11(17)12(8)15(22)20-6)9-5-10(16)13(18)21-14(9)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)-8-fluoro-3-methyl-2H-isoquinolin-1-one?
6-(2-amino-5-bromo-6-fluoro-3-pyridinyl)-8-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)-8-fluoro-3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 166094016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).