1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate

C9H11NO4 — CID 142181974

IUPAC1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate
SMILESCC(=O)c1ncccc1O.COC=O
InChIInChI=1S/C7H7NO2.C2H4O2/c1-5(9)7-6(10)3-2-4-8-7;1-4-2-3/h2-4,10H,1H3;2H,1H3
InChIKeyIDUWBNWTIIFOGZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.78
Rot. Bonds2

About 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate

1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate (PubChem CID 142181974) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate.

Molecular Properties

Compound Name1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate
PubChem CID142181974
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate
SMILESCC(=O)c1ncccc1O.COC=O
InChIInChI=1S/C7H7NO2.C2H4O2/c1-5(9)7-6(10)3-2-4-8-7;1-4-2-3/h2-4,10H,1H3;2H,1H3
InChIKeyIDUWBNWTIIFOGZ-UHFFFAOYSA-N
XLogP0.78
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-iodo-2-pyridinyl)ethanone
CID 69164908
bromo 3-hydroxypyridine-2-carboxylate
CID 174630799
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
propyl 3-hydroxypyridine-2-carboxylate
CID 60923594
1-(1,6-naphthyridin-5-yl)ethanone
CID 130047665
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808
2-methoxypyridine;methyl formate
CID 163953366
3-hydroxypyridine-2-carbohydrazide
CID 45083058
3-hydroxy-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 54860878
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
CID 104696914

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate?
The IUPAC name of 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate (CID 142181974) is 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate.
What is the SMILES notation for 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate?
The canonical SMILES for 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate is CC(=O)c1ncccc1O.COC=O.
What is the InChIKey of 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate?
The InChIKey is IDUWBNWTIIFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C2H4O2/c1-5(9)7-6(10)3-2-4-8-7;1-4-2-3/h2-4,10H,1H3;2H,1H3.
What are the key properties of 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate?
1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate has a molecular weight of 197.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate is sourced from PubChem (CID 142181974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).