methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate

C8H8N2O4 — CID 90920727

IUPACmethyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate
SMILESCOC(=O)C(N=O)c1ncccc1O
InChIInChI=1S/C8H8N2O4/c1-14-8(12)7(10-13)6-5(11)3-2-4-9-6/h2-4,7,11H,1H3
InChIKeyTYKLCFYOQZVWRM-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.77
Rot. Bonds3

About methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate

methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate (PubChem CID 90920727) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate
PubChem CID90920727
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Namemethyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate
SMILESCOC(=O)C(N=O)c1ncccc1O
InChIInChI=1S/C8H8N2O4/c1-14-8(12)7(10-13)6-5(11)3-2-4-9-6/h2-4,7,11H,1H3
InChIKeyTYKLCFYOQZVWRM-UHFFFAOYSA-N
XLogP0.77
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
methyl 2-[3-(2-methoxy-1-nitroso-2-oxoethyl)phenyl]-2-nitrosoacetate
CID 91900402
methyl 3,4-dihydroxy-4-(3-hydroxy-2-pyridinyl)butanoate
CID 171895095
methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
CID 130059341
methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
dimethyl 2-[3-(difluoromethoxy)-2-pyridinyl]propanedioate
CID 155210458
methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate
CID 156875680
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
3-(3-chloro-2-pyridinyl)butan-2-one
CID 63196359
3-[(2S)-2-amino-3-methoxy-3-oxopropyl]pyridine-2-carboxylic acid
CID 171238555

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate?
The IUPAC name of methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate (CID 90920727) is methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate.
What is the SMILES notation for methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate?
The canonical SMILES for methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate is COC(=O)C(N=O)c1ncccc1O.
What is the InChIKey of methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate?
The InChIKey is TYKLCFYOQZVWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-14-8(12)7(10-13)6-5(11)3-2-4-9-6/h2-4,7,11H,1H3.
What are the key properties of methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate?
methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate has a molecular weight of 196.16 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-2-pyridinyl)-2-nitrosoacetate is sourced from PubChem (CID 90920727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).