2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride

C6H5Cl2NO2 — CID 142756427

IUPAC2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride
SMILESCl.O=C(Cl)c1ccc[nH]c1=O
InChIInChI=1S/C6H4ClNO2.ClH/c7-5(9)4-2-1-3-8-6(4)10;/h1-3H,(H,8,10);1H
InChIKeySQCYSAKHPORUEE-UHFFFAOYSA-N
MW194.02 g/mol
LogP1.18
Rot. Bonds1

About 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride

2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride (PubChem CID 142756427) has the molecular formula C6H5Cl2NO2 and a molecular weight of 194.02 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride.

Molecular Properties

Compound Name2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride
PubChem CID142756427
Molecular FormulaC6H5Cl2NO2
Molecular Weight194.02 g/mol
Exact Mass192.97
IUPAC Name2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride
SMILESCl.O=C(Cl)c1ccc[nH]c1=O
InChIInChI=1S/C6H4ClNO2.ClH/c7-5(9)4-2-1-3-8-6(4)10;/h1-3H,(H,8,10);1H
InChIKeySQCYSAKHPORUEE-UHFFFAOYSA-N
XLogP1.18
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride?
The IUPAC name of 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride (CID 142756427) is 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride.
What is the SMILES notation for 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride?
The canonical SMILES for 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride is Cl.O=C(Cl)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride?
The InChIKey is SQCYSAKHPORUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2.ClH/c7-5(9)4-2-1-3-8-6(4)10;/h1-3H,(H,8,10);1H.
What are the key properties of 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride?
2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride has a molecular weight of 194.02 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride is sourced from PubChem (CID 142756427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).