methyl 6-acetylpyridine-2-carboxylate

C9H9NO3 — CID 11412711

IUPACmethyl 6-acetylpyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(C)=O)n1
InChIInChI=1S/C9H9NO3/c1-6(11)7-4-3-5-8(10-7)9(12)13-2/h3-5H,1-2H3
InChIKeyDFCHNHGPZHQYRP-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.07
Rot. Bonds2

About methyl 6-acetylpyridine-2-carboxylate

methyl 6-acetylpyridine-2-carboxylate (PubChem CID 11412711) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl 6-acetylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-acetylpyridine-2-carboxylate
PubChem CID11412711
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Namemethyl 6-acetylpyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(C)=O)n1
InChIInChI=1S/C9H9NO3/c1-6(11)7-4-3-5-8(10-7)9(12)13-2/h3-5H,1-2H3
InChIKeyDFCHNHGPZHQYRP-UHFFFAOYSA-N
XLogP1.07
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-(3-oxo-3-phenylpropanoyl)pyridine-2-carboxylate
CID 91346041
methyl 6-[3-(4-methylphenyl)prop-2-ynoyl]pyridine-2-carboxylate
CID 86704719
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-(3-hydroxyprop-1-enyl)pyridine-2-carboxylate
CID 169453691
1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
methyl 6-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboxylate
CID 99728623
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482

Frequently Asked Questions

What is the IUPAC name of methyl 6-acetylpyridine-2-carboxylate?
The IUPAC name of methyl 6-acetylpyridine-2-carboxylate (CID 11412711) is methyl 6-acetylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-acetylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-acetylpyridine-2-carboxylate is COC(=O)c1cccc(C(C)=O)n1.
What is the InChIKey of methyl 6-acetylpyridine-2-carboxylate?
The InChIKey is DFCHNHGPZHQYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-6(11)7-4-3-5-8(10-7)9(12)13-2/h3-5H,1-2H3.
What are the key properties of methyl 6-acetylpyridine-2-carboxylate?
methyl 6-acetylpyridine-2-carboxylate has a molecular weight of 179.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-acetylpyridine-2-carboxylate is sourced from PubChem (CID 11412711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).