methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate

C12H9NO4 — CID 58933233

IUPACmethyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c(N=O)c(O)ccc12
InChIInChI=1S/C12H9NO4/c1-17-12(15)9-4-2-3-8-7(9)5-6-10(14)11(8)13-16/h2-6,14H,1H3
InChIKeyWYOJMKMYZLIFES-UHFFFAOYSA-N
MW231.21 g/mol
LogP2.73
Rot. Bonds2

About methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate

methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate (PubChem CID 58933233) has the molecular formula C12H9NO4 and a molecular weight of 231.21 g/mol. Its IUPAC name is methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate
PubChem CID58933233
Molecular FormulaC12H9NO4
Molecular Weight231.21 g/mol
Exact Mass231.05
IUPAC Namemethyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate
SMILESCOC(=O)c1cccc2c(N=O)c(O)ccc12
InChIInChI=1S/C12H9NO4/c1-17-12(15)9-4-2-3-8-7(9)5-6-10(14)11(8)13-16/h2-6,14H,1H3
InChIKeyWYOJMKMYZLIFES-UHFFFAOYSA-N
XLogP2.73
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxynaphthalene-1-carboxylate
CID 22171384
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 3-hydroxy-2-propan-2-yloxybenzoate
CID 69409235
methyl 2-ethoxy-3-(hydroxymethyl)benzoate
CID 118269212
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 7-hydroxy-8-(2-hydroxy-8-methoxycarbonylnaphthalen-1-yl)naphthalene-1-carboxylate
CID 139815769
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
methyl 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfinylbenzoate
CID 142507685
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
methyl 2-hydroxy-3-(hydroxymethyl)benzoate
CID 54246985
methyl 3-hydroxy-2-tetradecoxybenzoate
CID 19014178
methyl 2-benzoyloxy-3-hydroxybenzoate
CID 68781973

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate?
The IUPAC name of methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate (CID 58933233) is methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate?
The canonical SMILES for methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate is COC(=O)c1cccc2c(N=O)c(O)ccc12.
What is the InChIKey of methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate?
The InChIKey is WYOJMKMYZLIFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO4/c1-17-12(15)9-4-2-3-8-7(9)5-6-10(14)11(8)13-16/h2-6,14H,1H3.
What are the key properties of methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate?
methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate has a molecular weight of 231.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-5-nitrosonaphthalene-1-carboxylate is sourced from PubChem (CID 58933233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).