6-acetyloxy-2-methylpyridine-3-carboxylic acid

C9H9NO4 — CID 154351291

IUPAC6-acetyloxy-2-methylpyridine-3-carboxylic acid
SMILESCC(=O)Oc1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C9H9NO4/c1-5-7(9(12)13)3-4-8(10-5)14-6(2)11/h3-4H,1-2H3,(H,12,13)
InChIKeyLOHLQGMKSGZLPQ-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.01
Rot. Bonds2

About 6-acetyloxy-2-methylpyridine-3-carboxylic acid

6-acetyloxy-2-methylpyridine-3-carboxylic acid (PubChem CID 154351291) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 6-acetyloxy-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-acetyloxy-2-methylpyridine-3-carboxylic acid
PubChem CID154351291
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name6-acetyloxy-2-methylpyridine-3-carboxylic acid
SMILESCC(=O)Oc1ccc(C(=O)O)c(C)n1
InChIInChI=1S/C9H9NO4/c1-5-7(9(12)13)3-4-8(10-5)14-6(2)11/h3-4H,1-2H3,(H,12,13)
InChIKeyLOHLQGMKSGZLPQ-UHFFFAOYSA-N
XLogP1.01
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(2-methoxyethoxy)propoxy]-2-methylpyridine-3-carboxylic acid
CID 103401537
2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
CID 90422775
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614
(6-bromo-5-ethyl-2-pyridinyl) acetate
CID 174767596
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
6-(3-methoxy-1,2-oxazol-5-yl)-2-methylpyridine-3-carboxylic acid
CID 96597337
6-(azepan-1-yl)-2-methylpyridine-3-carboxylic acid
CID 79886015
2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990
2-acetyloxy-3,5-dimethylbenzoic acid
CID 50883231
3-acetyloxy-2-methylbenzoic acid
CID 3798557
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2,3-dimethylterephthalic acid
CID 158313107

Frequently Asked Questions

What is the IUPAC name of 6-acetyloxy-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-acetyloxy-2-methylpyridine-3-carboxylic acid (CID 154351291) is 6-acetyloxy-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-acetyloxy-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-acetyloxy-2-methylpyridine-3-carboxylic acid is CC(=O)Oc1ccc(C(=O)O)c(C)n1.
What is the InChIKey of 6-acetyloxy-2-methylpyridine-3-carboxylic acid?
The InChIKey is LOHLQGMKSGZLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-5-7(9(12)13)3-4-8(10-5)14-6(2)11/h3-4H,1-2H3,(H,12,13).
What are the key properties of 6-acetyloxy-2-methylpyridine-3-carboxylic acid?
6-acetyloxy-2-methylpyridine-3-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyloxy-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 154351291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).