1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one

C14H13BrFN3O2 — CID 134262062

IUPAC1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCOc1nc(Br)c(F)cc1-n1c2c(ccc1=O)CNCC2
InChIInChI=1S/C14H13BrFN3O2/c1-21-14-11(6-9(16)13(15)18-14)19-10-4-5-17-7-8(10)2-3-12(19)20/h2-3,6,17H,4-5,7H2,1H3
InChIKeyCNJLJEVDPHKMSF-UHFFFAOYSA-N
MW354.18 g/mol
LogP1.79
Rot. Bonds2

About 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one

1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 134262062) has the molecular formula C14H13BrFN3O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID134262062
Molecular FormulaC14H13BrFN3O2
Molecular Weight354.18 g/mol
Exact Mass353.02
IUPAC Name1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCOc1nc(Br)c(F)cc1-n1c2c(ccc1=O)CNCC2
InChIInChI=1S/C14H13BrFN3O2/c1-21-14-11(6-9(16)13(15)18-14)19-10-4-5-17-7-8(10)2-3-12(19)20/h2-3,6,17H,4-5,7H2,1H3
InChIKeyCNJLJEVDPHKMSF-UHFFFAOYSA-N
XLogP1.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 134262062) is 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one is COc1nc(Br)c(F)cc1-n1c2c(ccc1=O)CNCC2.
What is the InChIKey of 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is CNJLJEVDPHKMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O2/c1-21-14-11(6-9(16)13(15)18-14)19-10-4-5-17-7-8(10)2-3-12(19)20/h2-3,6,17H,4-5,7H2,1H3.
What are the key properties of 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 354.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 134262062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).