(6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate

C10H9FN2O4S — CID 141137958

IUPAC(6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate
SMILESCOc1ccc2nccc(OS(=O)(=O)CF)c2n1
InChIInChI=1S/C10H9FN2O4S/c1-16-9-3-2-7-10(13-9)8(4-5-12-7)17-18(14,15)6-11/h2-5H,6H2,1H3
InChIKeyNXCPVBASOBXKPT-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.27
Rot. Bonds4

About (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate

(6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate (PubChem CID 141137958) has the molecular formula C10H9FN2O4S and a molecular weight of 272.26 g/mol. Its IUPAC name is (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate.

Molecular Properties

Compound Name(6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate
PubChem CID141137958
Molecular FormulaC10H9FN2O4S
Molecular Weight272.26 g/mol
Exact Mass272.03
IUPAC Name(6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate
SMILESCOc1ccc2nccc(OS(=O)(=O)CF)c2n1
InChIInChI=1S/C10H9FN2O4S/c1-16-9-3-2-7-10(13-9)8(4-5-12-7)17-18(14,15)6-11/h2-5H,6H2,1H3
InChIKeyNXCPVBASOBXKPT-UHFFFAOYSA-N
XLogP1.27
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

8-(cyclohexylmethoxy)-2-methoxy-1,5-naphthyridine
CID 142884547
(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enal
CID 87130360
(Z)-2-hydrazinyl-1-(6-methoxy-1,5-naphthyridin-4-yl)ethenamine
CID 142961518
N-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]acetamide
CID 68734493
2,7-dimethoxy-8-methyl-1,5-naphthyridine
CID 90365423
[(1R)-2-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamic acid
CID 141388458
8-(2-chloro-6-methoxyphenyl)-2-methoxy-1,5-naphthyridine
CID 86291571
[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methanamine
CID 66953692
8-(2-cyclohexylethyl)-2-methoxy-1,5-naphthyridine
CID 68566539
[4-[(E)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]cyclohexyl]methanol
CID 68567552
N-[(5-tert-butyl-3-pyridinyl)methyl]-6-methoxy-1,5-naphthyridin-4-amine
CID 166359963
(5R)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
CID 141217209

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate?
The IUPAC name of (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate (CID 141137958) is (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate.
What is the SMILES notation for (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate?
The canonical SMILES for (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate is COc1ccc2nccc(OS(=O)(=O)CF)c2n1.
What is the InChIKey of (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate?
The InChIKey is NXCPVBASOBXKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O4S/c1-16-9-3-2-7-10(13-9)8(4-5-12-7)17-18(14,15)6-11/h2-5H,6H2,1H3.
What are the key properties of (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate?
(6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate has a molecular weight of 272.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1,5-naphthyridin-4-yl) fluoromethanesulfonate is sourced from PubChem (CID 141137958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).