1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

C15H13BrFN3O4 — CID 134262198

IUPAC1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESCOc1nc(Br)c(F)cc1-n1c2c(ccc1=O)CN(C(=O)O)CC2
InChIInChI=1S/C15H13BrFN3O4/c1-24-14-11(6-9(17)13(16)18-14)20-10-4-5-19(15(22)23)7-8(10)2-3-12(20)21/h2-3,6H,4-5,7H2,1H3,(H,22,23)
InChIKeyULFSYMYYENDJKE-UHFFFAOYSA-N
MW398.19 g/mol
LogP2.18
Rot. Bonds2

About 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (PubChem CID 134262198) has the molecular formula C15H13BrFN3O4 and a molecular weight of 398.19 g/mol. Its IUPAC name is 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
PubChem CID134262198
Molecular FormulaC15H13BrFN3O4
Molecular Weight398.19 g/mol
Exact Mass397.01
IUPAC Name1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESCOc1nc(Br)c(F)cc1-n1c2c(ccc1=O)CN(C(=O)O)CC2
InChIInChI=1S/C15H13BrFN3O4/c1-24-14-11(6-9(17)13(16)18-14)20-10-4-5-19(15(22)23)7-8(10)2-3-12(20)21/h2-3,6H,4-5,7H2,1H3,(H,22,23)
InChIKeyULFSYMYYENDJKE-UHFFFAOYSA-N
XLogP2.18
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.19
LogP ≤ 52.18
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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Related Compounds

US11440899, Example 14
CID 138562174
1-(6-Bromo-5-fluoro-2-methoxypyridin-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one;2,2,2-trifluoroacetic acid
CID 134262061
1-(6-Bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 134262062
tert-butyl 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 134262200
tert-butyl N-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 170733430
1-(6-Bromo-5-fluoro-2-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 157696182
(2E,4Z)-4-bromo-N-(5-bromo-2-methoxy-3-pyridinyl)-5-hydroxy-N-methylhepta-2,4,6-trienamide
CID 58125520
N-(6-bromo-2-methoxypyridin-3-yl)-N-(2-oxopropyl)formamide
CID 58351061
(6-Bromo-2-methoxy-3-pyridinyl)-methylcarbamic acid
CID 90022688
(6-Bromo-2-methoxy-3-pyridinyl)-tert-butylcarbamic acid
CID 118685217
Tert-butyl(6-bromo-2-methoxypyridin-3-yl)(methyl)carbamate
CID 118685238
(6-Bromo-2-methoxy-3-pyridinyl)-(2,2-dimethylpropyl)carbamic acid
CID 118685240

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The IUPAC name of 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (CID 134262198) is 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The canonical SMILES for 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is COc1nc(Br)c(F)cc1-n1c2c(ccc1=O)CN(C(=O)O)CC2.
What is the InChIKey of 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The InChIKey is ULFSYMYYENDJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3O4/c1-24-14-11(6-9(17)13(16)18-14)20-10-4-5-19(15(22)23)7-8(10)2-3-12(20)21/h2-3,6H,4-5,7H2,1H3,(H,22,23).
What are the key properties of 1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
1-(6-bromo-5-fluoro-2-methoxy-3-pyridinyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid has a molecular weight of 398.19 g/mol, XLogP of 2.18, 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)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 134262198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).