ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate

C9H10N2O4 — CID 761467

IUPACethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(O)C(=CN=O)C=C1
InChIInChI=1S/C9H10N2O4/c1-2-15-9(12)7-3-4-8(5-10-13)11(14)6-7/h3-6,14H,2H2,1H3
InChIKeyAFNYUDAYSDTQPG-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.30
Rot. Bonds3

About ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate

ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate (PubChem CID 761467) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate
PubChem CID761467
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Nameethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate
SMILESCCOC(=O)C1=CN(O)C(=CN=O)C=C1
InChIInChI=1S/C9H10N2O4/c1-2-15-9(12)7-3-4-8(5-10-13)11(14)6-7/h3-6,14H,2H2,1H3
InChIKeyAFNYUDAYSDTQPG-UHFFFAOYSA-N
XLogP1.30
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 6-[(hydroxyimino)methyl]nicotinate 1-oxide
CID 5719216
ethyl 6-[(E)-(hydroxyimino)methyl]pyridine-3-carboxylate 1-oxide
CID 5402761
ethyl (2Z,4E,7E)-8-(dimethylamino)-2-methyl-6-methylidene-3,5-dinitroocta-2,4,7-trienoate
CID 89489004
Ethyl 1-hydroxy-6-oxopyridine-3-carboxylate
CID 141404003
ethyl (2E,4E)-3-[(E)-2-(dimethylamino)ethenyl]-4-nitro-2-[(E)-2-nitroprop-1-enyl]hexa-2,4-dienoate
CID 143559151
ethyl (E,2E)-2-(1-methyl-5-nitro-2-pyridinylidene)hept-3-enoate
CID 163709533
ethyl (6E)-1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate
CID 6043389
ethyl (6E)-1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate
CID 6051527
ethyl 2-methyl-1-oxo-2H-pyridin-1-ium-5-carboxylate
CID 6332477
5-ethoxycarbonyl-1-oxo-2H-pyridin-1-ium-2-carboxylic acid
CID 6332923
Ethyl 1-[2-(dimethylamino)ethyl]-6-(nitrosomethylidene)pyridine-3-carboxylate
CID 6820922
Ethyl 1-methyl-6-(nitrosomethylidene)pyridine-3-carboxylate
CID 6821888

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate?
The IUPAC name of ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate (CID 761467) is ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate is CCOC(=O)C1=CN(O)C(=CN=O)C=C1.
What is the InChIKey of ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate?
The InChIKey is AFNYUDAYSDTQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-15-9(12)7-3-4-8(5-10-13)11(14)6-7/h3-6,14H,2H2,1H3.
What are the key properties of ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate?
ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate has a molecular weight of 210.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate is sourced from PubChem (CID 761467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).