3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride

C8H10ClNO3 — CID 138040115

IUPAC3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cccc(=O)[nH]1
InChIInChI=1S/C8H9NO3.ClH/c10-7-3-1-2-6(9-7)4-5-8(11)12;/h1-3H,4-5H2,(H,9,10)(H,11,12);1H
InChIKeyCAILYHOISOLBAJ-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.81
Rot. Bonds3

About 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride

3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride (PubChem CID 138040115) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride
PubChem CID138040115
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCc1cccc(=O)[nH]1
InChIInChI=1S/C8H9NO3.ClH/c10-7-3-1-2-6(9-7)4-5-8(11)12;/h1-3H,4-5H2,(H,9,10)(H,11,12);1H
InChIKeyCAILYHOISOLBAJ-UHFFFAOYSA-N
XLogP0.81
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride (CID 138040115) is 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride is Cl.O=C(O)CCc1cccc(=O)[nH]1.
What is the InChIKey of 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride?
The InChIKey is CAILYHOISOLBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.ClH/c10-7-3-1-2-6(9-7)4-5-8(11)12;/h1-3H,4-5H2,(H,9,10)(H,11,12);1H.
What are the key properties of 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride?
3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride has a molecular weight of 203.62 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyridin-2-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 138040115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).