6-acetylpyridine-3-carboxylic acid

C8H7NO3 — CID 22323784

IUPAC6-acetylpyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C8H7NO3/c1-5(10)7-3-2-6(4-9-7)8(11)12/h2-4H,1H3,(H,11,12)
InChIKeyMAXZXMQBYVEGNS-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.98
Rot. Bonds2

About 6-acetylpyridine-3-carboxylic acid

6-acetylpyridine-3-carboxylic acid (PubChem CID 22323784) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 6-acetylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-acetylpyridine-3-carboxylic acid
PubChem CID22323784
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name6-acetylpyridine-3-carboxylic acid
SMILESCC(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C8H7NO3/c1-5(10)7-3-2-6(4-9-7)8(11)12/h2-4H,1H3,(H,11,12)
InChIKeyMAXZXMQBYVEGNS-UHFFFAOYSA-N
XLogP0.98
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-2,5-dicarboxylic acid
CID 158970171
1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone
CID 45086200
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
1-(5-phenyl-2-pyridinyl)ethanone
CID 12054301
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
6-[methyl(3-methylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43430158
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
6-aminopyridine-3-carboxylic acid;ethane
CID 142242146
(6-acetyl-3-pyridinyl)carbamic acid
CID 121318234

Frequently Asked Questions

What is the IUPAC name of 6-acetylpyridine-3-carboxylic acid?
The IUPAC name of 6-acetylpyridine-3-carboxylic acid (CID 22323784) is 6-acetylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-acetylpyridine-3-carboxylic acid?
The canonical SMILES for 6-acetylpyridine-3-carboxylic acid is CC(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-acetylpyridine-3-carboxylic acid?
The InChIKey is MAXZXMQBYVEGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-5(10)7-3-2-6(4-9-7)8(11)12/h2-4H,1H3,(H,11,12).
What are the key properties of 6-acetylpyridine-3-carboxylic acid?
6-acetylpyridine-3-carboxylic acid has a molecular weight of 165.15 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetylpyridine-3-carboxylic acid is sourced from PubChem (CID 22323784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).