2-acetylpyridine-3-carboxylic acid;hydrochloride

C8H8ClNO3 — CID 67895740

IUPAC2-acetylpyridine-3-carboxylic acid;hydrochloride
SMILESCC(=O)c1ncccc1C(=O)O.Cl
InChIInChI=1S/C8H7NO3.ClH/c1-5(10)7-6(8(11)12)3-2-4-9-7;/h2-4H,1H3,(H,11,12);1H
InChIKeyYNZPZYHIMFEQBB-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.40
Rot. Bonds2

About 2-acetylpyridine-3-carboxylic acid;hydrochloride

2-acetylpyridine-3-carboxylic acid;hydrochloride (PubChem CID 67895740) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 2-acetylpyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-acetylpyridine-3-carboxylic acid;hydrochloride
PubChem CID67895740
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name2-acetylpyridine-3-carboxylic acid;hydrochloride
SMILESCC(=O)c1ncccc1C(=O)O.Cl
InChIInChI=1S/C8H7NO3.ClH/c1-5(10)7-6(8(11)12)3-2-4-9-7;/h2-4H,1H3,(H,11,12);1H
InChIKeyYNZPZYHIMFEQBB-UHFFFAOYSA-N
XLogP1.40
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetylpyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-acetylpyridine-3-carboxylic acid;hydrochloride (CID 67895740) is 2-acetylpyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-acetylpyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-acetylpyridine-3-carboxylic acid;hydrochloride is CC(=O)c1ncccc1C(=O)O.Cl.
What is the InChIKey of 2-acetylpyridine-3-carboxylic acid;hydrochloride?
The InChIKey is YNZPZYHIMFEQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3.ClH/c1-5(10)7-6(8(11)12)3-2-4-9-7;/h2-4H,1H3,(H,11,12);1H.
What are the key properties of 2-acetylpyridine-3-carboxylic acid;hydrochloride?
2-acetylpyridine-3-carboxylic acid;hydrochloride has a molecular weight of 201.61 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylpyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67895740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).