methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate

C13H13FN2O3 — CID 66601765

IUPACmethyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOCc1nc2nc(C)c(F)cc2cc1C(=O)OC
InChIInChI=1S/C13H13FN2O3/c1-7-10(14)5-8-4-9(13(17)19-3)11(6-18-2)16-12(8)15-7/h4-5H,6H2,1-3H3
InChIKeyIWJYRQKKJPYNCE-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.01
Rot. Bonds3

About methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate

methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 66601765) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID66601765
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Namemethyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOCc1nc2nc(C)c(F)cc2cc1C(=O)OC
InChIInChI=1S/C13H13FN2O3/c1-7-10(14)5-8-4-9(13(17)19-3)11(6-18-2)16-12(8)15-7/h4-5H,6H2,1-3H3
InChIKeyIWJYRQKKJPYNCE-UHFFFAOYSA-N
XLogP2.01
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 66601765) is methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate is COCc1nc2nc(C)c(F)cc2cc1C(=O)OC.
What is the InChIKey of methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is IWJYRQKKJPYNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-7-10(14)5-8-4-9(13(17)19-3)11(6-18-2)16-12(8)15-7/h4-5H,6H2,1-3H3.
What are the key properties of methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate?
methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 264.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66601765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).