3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one

C14H15FN2O5 — CID 144823770

IUPAC3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one
SMILESCc1cnc2[nH]c(=O)c([C@@H]3O[C@H](CO)C(O)C3O)cc2c1F
InChIInChI=1S/C14H15FN2O5/c1-5-3-16-13-6(9(5)15)2-7(14(21)17-13)12-11(20)10(19)8(4-18)22-12/h2-3,8,10-12,18-20H,4H2,1H3,(H,16,17,21)/t8-,10?,11?,12+/m1/s1
InChIKeyAKXIEXOZQVPFLZ-RVHAWEMESA-N
MW310.28 g/mol
LogP-0.48
Rot. Bonds2

About 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one

3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one (PubChem CID 144823770) has the molecular formula C14H15FN2O5 and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one
PubChem CID144823770
Molecular FormulaC14H15FN2O5
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one
SMILESCc1cnc2[nH]c(=O)c([C@@H]3O[C@H](CO)C(O)C3O)cc2c1F
InChIInChI=1S/C14H15FN2O5/c1-5-3-16-13-6(9(5)15)2-7(14(21)17-13)12-11(20)10(19)8(4-18)22-12/h2-3,8,10-12,18-20H,4H2,1H3,(H,16,17,21)/t8-,10?,11?,12+/m1/s1
InChIKeyAKXIEXOZQVPFLZ-RVHAWEMESA-N
XLogP-0.48
TPSA115.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dimethyl-1H-1,8-naphthyridin-2-one
CID 144823865
7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 144823806
3-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7-dimethyl-1H-1,8-naphthyridin-2-one
CID 118004864
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-3-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 123820679
7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoro-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 144823876
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-fluoro-3-methyl-1H-pyridin-2-one
CID 118004766
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dimethyl-1H-pyridin-2-one
CID 118004768
6-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,8-dihydropyrido[2,3-d]pyrimidine-2,7-dione
CID 122543350
5-[(2S,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrimidin-2-one
CID 118005028
[[(2R,3R,5S)-5-(6-fluoro-5-methyl-2-oxo-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 122543294
5-[(2S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1H-pyrazin-2-one
CID 118005201
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-fluoro-5,6-dimethyl-1H-1,8-naphthyridine-2-thione
CID 144823563

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one (CID 144823770) is 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one is Cc1cnc2[nH]c(=O)c([C@@H]3O[C@H](CO)C(O)C3O)cc2c1F.
What is the InChIKey of 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one?
The InChIKey is AKXIEXOZQVPFLZ-RVHAWEMESA-N. The full InChI is InChI=1S/C14H15FN2O5/c1-5-3-16-13-6(9(5)15)2-7(14(21)17-13)12-11(20)10(19)8(4-18)22-12/h2-3,8,10-12,18-20H,4H2,1H3,(H,16,17,21)/t8-,10?,11?,12+/m1/s1.
What are the key properties of 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one?
3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one has a molecular weight of 310.28 g/mol, XLogP of -0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-6-methyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 144823770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).