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

C9H10N2O3 — CID 10087454

IUPACmethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate
SMILESCOC(=O)C1=C/C(=C/N=O)N(C)C=C1
InChIInChI=1S/C9H10N2O3/c1-11-4-3-7(9(12)14-2)5-8(11)6-10-13/h3-6H,1-2H3/b8-6-
InChIKeyKVSWSPUCGSQTDP-VURMDHGXSA-N
MW194.19 g/mol
LogP1.15
Rot. Bonds2

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

methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate (PubChem CID 10087454) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate
PubChem CID10087454
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namemethyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate
SMILESCOC(=O)C1=C/C(=C/N=O)N(C)C=C1
InChIInChI=1S/C9H10N2O3/c1-11-4-3-7(9(12)14-2)5-8(11)6-10-13/h3-6H,1-2H3/b8-6-
InChIKeyKVSWSPUCGSQTDP-VURMDHGXSA-N
XLogP1.15
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1,2-dihydro-1-methyl-4-pyridinecarboxylate
CID 45090140
methyl (2E)-2-(1-methyl-3-nitro-4-pyridinylidene)acetate
CID 21861523
methyl (2E)-2-(1-ethyl-3-nitro-4-pyridinylidene)acetate
CID 21861524
methyl 1,1-diethyl-2H-pyridin-1-ium-4-carboxylate
CID 56614482
ethyl 1-methyl-2H-pyridine-4-carboxylate
CID 70586070
methyl 4H-quinolizine-2-carboxylate
CID 87368522
ethyl 6H-quinolizine-2-carboxylate
CID 88666224
Methyl 1-amino-2-methylidenepyridine-4-carboxylate
CID 90383430
methyl (2E)-2-(1-methyl-2-pyridinylidene)but-3-enoate
CID 122683340
methyl 1-ethyl-2H-pyridine-4-carboxylate
CID 153947489
Methyl 1-ethenyl-2-propan-2-ylidenepyridine-4-carboxylate
CID 167170113
methyl (2Z)-2-(aminomethylidene)-1H-pyridine-4-carboxylate
CID 171474838

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate?
The IUPAC name of methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate (CID 10087454) is methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate.
What is the SMILES notation for methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate?
The canonical SMILES for methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate is COC(=O)C1=C/C(=C/N=O)N(C)C=C1.
What is the InChIKey of methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate?
The InChIKey is KVSWSPUCGSQTDP-VURMDHGXSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11-4-3-7(9(12)14-2)5-8(11)6-10-13/h3-6H,1-2H3/b8-6-.
What are the key properties of methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate?
methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate has a molecular weight of 194.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-1-methyl-2-(nitrosomethylidene)pyridine-4-carboxylate is sourced from PubChem (CID 10087454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).