methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate

C12H10F2N2O3 — CID 168856661

IUPACmethyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(C)c(C(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C12H10F2N2O3/c1-5-8(10(13)14)11(17)16-7-3-6(12(18)19-2)4-15-9(5)7/h3-4,10H,1-2H3,(H,16,17)
InChIKeyACEDUILJRQKMBX-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.96
Rot. Bonds2

About methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate

methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate (PubChem CID 168856661) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate
PubChem CID168856661
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Namemethyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2c(C)c(C(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C12H10F2N2O3/c1-5-8(10(13)14)11(17)16-7-3-6(12(18)19-2)4-15-9(5)7/h3-4,10H,1-2H3,(H,16,17)
InChIKeyACEDUILJRQKMBX-UHFFFAOYSA-N
XLogP1.96
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate?
The IUPAC name of methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate (CID 168856661) is methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate is COC(=O)c1cnc2c(C)c(C(F)F)c(=O)[nH]c2c1.
What is the InChIKey of methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate?
The InChIKey is ACEDUILJRQKMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-5-8(10(13)14)11(17)16-7-3-6(12(18)19-2)4-15-9(5)7/h3-4,10H,1-2H3,(H,16,17).
What are the key properties of methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate?
methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate has a molecular weight of 268.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(difluoromethyl)-8-methyl-6-oxo-5H-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 168856661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).