methyl 2-[nitroso(pyridin-2-yl)amino]acetate

C8H9N3O3 — CID 100988337

IUPACmethyl 2-[nitroso(pyridin-2-yl)amino]acetate
SMILESCOC(=O)CN(N=O)c1ccccn1
InChIInChI=1S/C8H9N3O3/c1-14-8(12)6-11(10-13)7-4-2-3-5-9-7/h2-5H,6H2,1H3
InChIKeyCJDLZHFCGMCVHO-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.74
Rot. Bonds4

About methyl 2-[nitroso(pyridin-2-yl)amino]acetate

methyl 2-[nitroso(pyridin-2-yl)amino]acetate (PubChem CID 100988337) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is methyl 2-[nitroso(pyridin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[nitroso(pyridin-2-yl)amino]acetate
PubChem CID100988337
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Namemethyl 2-[nitroso(pyridin-2-yl)amino]acetate
SMILESCOC(=O)CN(N=O)c1ccccn1
InChIInChI=1S/C8H9N3O3/c1-14-8(12)6-11(10-13)7-4-2-3-5-9-7/h2-5H,6H2,1H3
InChIKeyCJDLZHFCGMCVHO-UHFFFAOYSA-N
XLogP0.74
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
2-methoxy-N-methyl-N-pyridin-2-ylpropanamide
CID 115640276
methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate
CID 115253091
methyl 2-pyridin-2-yloxyacetate
CID 45091085
methyl 2-[(2-methoxy-2-oxoethyl)-pyridazin-3-ylamino]acetate
CID 94903520
methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate
CID 116978022
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
2-(cyclohexylmethylamino)-N-methyl-N-pyridin-2-ylacetamide
CID 101057675
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053

Frequently Asked Questions

What is the IUPAC name of methyl 2-[nitroso(pyridin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[nitroso(pyridin-2-yl)amino]acetate (CID 100988337) is methyl 2-[nitroso(pyridin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[nitroso(pyridin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[nitroso(pyridin-2-yl)amino]acetate is COC(=O)CN(N=O)c1ccccn1.
What is the InChIKey of methyl 2-[nitroso(pyridin-2-yl)amino]acetate?
The InChIKey is CJDLZHFCGMCVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-14-8(12)6-11(10-13)7-4-2-3-5-9-7/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[nitroso(pyridin-2-yl)amino]acetate?
methyl 2-[nitroso(pyridin-2-yl)amino]acetate has a molecular weight of 195.18 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[nitroso(pyridin-2-yl)amino]acetate is sourced from PubChem (CID 100988337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).