ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid

C13H14N2O5 — CID 142808011

IUPACethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
SMILESCC.COC(=O)c1nc(C(=O)O)c2cccnc2c1O
InChIInChI=1S/C11H8N2O5.C2H6/c1-18-11(17)8-9(14)6-5(3-2-4-12-6)7(13-8)10(15)16;1-2/h2-4,14H,1H3,(H,15,16);1-2H3
InChIKeyBISUJKFPVVITGH-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.85
Rot. Bonds2

About ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid

ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid (PubChem CID 142808011) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid.

Molecular Properties

Compound Nameethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
PubChem CID142808011
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Nameethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
SMILESCC.COC(=O)c1nc(C(=O)O)c2cccnc2c1O
InChIInChI=1S/C11H8N2O5.C2H6/c1-18-11(17)8-9(14)6-5(3-2-4-12-6)7(13-8)10(15)16;1-2/h2-4,14H,1H3,(H,15,16);1-2H3
InChIKeyBISUJKFPVVITGH-UHFFFAOYSA-N
XLogP1.85
TPSA109.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 86280626
methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
CID 59645218
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 142807716
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate
CID 142807728
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylic acid
CID 86280627
8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxamide
CID 20750074
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670

Frequently Asked Questions

What is the IUPAC name of ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid?
The IUPAC name of ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid (CID 142808011) is ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid.
What is the SMILES notation for ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid?
The canonical SMILES for ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid is CC.COC(=O)c1nc(C(=O)O)c2cccnc2c1O.
What is the InChIKey of ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid?
The InChIKey is BISUJKFPVVITGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5.C2H6/c1-18-11(17)8-9(14)6-5(3-2-4-12-6)7(13-8)10(15)16;1-2/h2-4,14H,1H3,(H,15,16);1-2H3.
What are the key properties of ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid?
ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid is sourced from PubChem (CID 142808011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).