methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate

C10H8N2O3S — CID 142807728

IUPACmethyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1[nH]c(=S)c2cccnc2c1O
InChIInChI=1S/C10H8N2O3S/c1-15-10(14)7-8(13)6-5(9(16)12-7)3-2-4-11-6/h2-4,13H,1H3,(H,12,16)
InChIKeyORLWKGAAONXPBJ-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.78
Rot. Bonds1

About methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate

methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate (PubChem CID 142807728) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate
PubChem CID142807728
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Namemethyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1[nH]c(=S)c2cccnc2c1O
InChIInChI=1S/C10H8N2O3S/c1-15-10(14)7-8(13)6-5(9(16)12-7)3-2-4-11-6/h2-4,13H,1H3,(H,12,16)
InChIKeyORLWKGAAONXPBJ-UHFFFAOYSA-N
XLogP1.78
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
CID 142808011
ethyl 5-hydroxy-8-oxo-7H-1,7-naphthyridine-6-carboxylate
CID 54696338
dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 58929029
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
CID 59645218
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
3-cyano-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-bromo-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 159053645
ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 142807716
methyl 2-quinolin-8-yl-1H-imidazole-5-carboxylate
CID 63967860
methyl 8-methylsulfanylquinoline-5-carboxylate
CID 14874964
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxamide
CID 20750074

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate (CID 142807728) is methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate is COC(=O)c1[nH]c(=S)c2cccnc2c1O.
What is the InChIKey of methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate?
The InChIKey is ORLWKGAAONXPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c1-15-10(14)7-8(13)6-5(9(16)12-7)3-2-4-11-6/h2-4,13H,1H3,(H,12,16).
What are the key properties of methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate?
methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate has a molecular weight of 236.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 142807728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).