ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate

C10H12N2O3 — CID 10735569

IUPACethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate
SMILESCCOC(=O)C1=C/C(=C/N=O)N(C)C=C1
InChIInChI=1S/C10H12N2O3/c1-3-15-10(13)8-4-5-12(2)9(6-8)7-11-14/h4-7H,3H2,1-2H3/b9-7-
InChIKeyOOFSDRFCYJVLQQ-CLFYSBASSA-N
MW208.22 g/mol
LogP1.54
Rot. Bonds3

About ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate

ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate (PubChem CID 10735569) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate
PubChem CID10735569
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate
SMILESCCOC(=O)C1=C/C(=C/N=O)N(C)C=C1
InChIInChI=1S/C10H12N2O3/c1-3-15-10(13)8-4-5-12(2)9(6-8)7-11-14/h4-7H,3H2,1-2H3/b9-7-
InChIKeyOOFSDRFCYJVLQQ-CLFYSBASSA-N
XLogP1.54
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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CID 45090140
1-Ethyl-4-carbethoxy-pyridine
CID 70587292
Ethyl 1-hydroxy-6-(nitrosomethylidene)pyridine-3-carboxylate
CID 761467
methyl (2E)-2-(1-methyl-3-nitro-4-pyridinylidene)acetate
CID 21861523
methyl (2E)-2-(1-ethyl-3-nitro-4-pyridinylidene)acetate
CID 21861524
Ethyl 1-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
CID 228288
ethyl 1-methyl-2H-pyridine-4-carboxylate
CID 70586070
ethyl 6H-quinolizine-2-carboxylate
CID 88666224
ethyl 4H-quinolizine-2-carboxylate
CID 88666225
methyl (2E)-2-(1-methyl-2-pyridinylidene)but-3-enoate
CID 122683340

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate?
The IUPAC name of ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate (CID 10735569) is ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate.
What is the SMILES notation for ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate?
The canonical SMILES for ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate is CCOC(=O)C1=C/C(=C/N=O)N(C)C=C1.
What is the InChIKey of ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate?
The InChIKey is OOFSDRFCYJVLQQ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-15-10(13)8-4-5-12(2)9(6-8)7-11-14/h4-7H,3H2,1-2H3/b9-7-.
What are the key properties of ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate?
ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate is sourced from PubChem (CID 10735569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).