methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate

C10H8N2O4 — CID 59854199

IUPACmethyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(O)cnc2c1O
InChIInChI=1S/C10H8N2O4/c1-16-10(15)8-9(14)7-5(3-11-8)2-6(13)4-12-7/h2-4,13-14H,1H3
InChIKeyMALICGMWNQFZIX-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.83
Rot. Bonds1

About methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate

methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate (PubChem CID 59854199) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate
PubChem CID59854199
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Namemethyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)c1ncc2cc(O)cnc2c1O
InChIInChI=1S/C10H8N2O4/c1-16-10(15)8-9(14)7-5(3-11-8)2-6(13)4-12-7/h2-4,13-14H,1H3
InChIKeyMALICGMWNQFZIX-UHFFFAOYSA-N
XLogP0.83
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxyfuro[3,4-b]pyridine-5,7-dione;bis(methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate)
CID 91164150
methyl 3-benzyl-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 59696527
methyl 3-hydroxy-8-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-1,6-naphthyridine-7-carboxylate
CID 71046794
methyl 8-hydroxypyrido[3,4-b]pyrazine-7-carboxylate
CID 135984745
ethane;methyl 5-hydroxypyrimidine-2-carboxylate
CID 145316773
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
(4-fluorophenyl)methyl 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 68856808
methyl 7-hydroxyisoquinoline-3-carboxylate
CID 53419788
dimethyl 5-bromopyridine-2,3-dicarboxylate
CID 53423993
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
methyl 4-chloro-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130072747
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469

Frequently Asked Questions

What is the IUPAC name of methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate (CID 59854199) is methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate is COC(=O)c1ncc2cc(O)cnc2c1O.
What is the InChIKey of methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate?
The InChIKey is MALICGMWNQFZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-16-10(15)8-9(14)7-5(3-11-8)2-6(13)4-12-7/h2-4,13-14H,1H3.
What are the key properties of methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate?
methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate has a molecular weight of 220.18 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,8-dihydroxy-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 59854199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).