2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

C6H6ClNO3 — CID 89421767

IUPAC2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc[nH]c1=O
InChIInChI=1S/C6H5NO3.ClH/c8-5-4(6(9)10)2-1-3-7-5;/h1-3H,(H,7,8)(H,9,10);1H
InChIKeyHRXDGRCTQHSZKG-UHFFFAOYSA-N
MW175.57 g/mol
LogP0.49
Rot. Bonds1

About 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 89421767) has the molecular formula C6H6ClNO3 and a molecular weight of 175.57 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
PubChem CID89421767
Molecular FormulaC6H6ClNO3
Molecular Weight175.57 g/mol
Exact Mass175.00
IUPAC Name2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc[nH]c1=O
InChIInChI=1S/C6H5NO3.ClH/c8-5-4(6(9)10)2-1-3-7-5;/h1-3H,(H,7,8)(H,9,10);1H
InChIKeyHRXDGRCTQHSZKG-UHFFFAOYSA-N
XLogP0.49
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.57
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (CID 89421767) is 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is HRXDGRCTQHSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.ClH/c8-5-4(6(9)10)2-1-3-7-5;/h1-3H,(H,7,8)(H,9,10);1H.
What are the key properties of 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 175.57 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 89421767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).