5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride

C6H3Cl2NO2 — CID 45081691

IUPAC5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H3Cl2NO2/c7-3-1-4(5(8)10)6(11)9-2-3/h1-2H,(H,9,11)
InChIKeySXCSSXXDORTUBB-UHFFFAOYSA-N
MW192.00 g/mol
LogP1.41
Rot. Bonds1

About 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride

5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 45081691) has the molecular formula C6H3Cl2NO2 and a molecular weight of 192.00 g/mol. Its IUPAC name is 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID45081691
Molecular FormulaC6H3Cl2NO2
Molecular Weight192.00 g/mol
Exact Mass190.95
IUPAC Name5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C6H3Cl2NO2/c7-3-1-4(5(8)10)6(11)9-2-3/h1-2H,(H,9,11)
InChIKeySXCSSXXDORTUBB-UHFFFAOYSA-N
XLogP1.41
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.00
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 171547663
2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonyl chloride
CID 171547710
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072824
2-Hydroxynicotinoyl chloride
CID 15679350
2-Hydroxy-4-iodonicotinoyl chloride
CID 77230170
6-Chloro-1,2-dihydropyridine-3-carbonyl chloride
CID 126514813
2-oxo-1H-pyridine-3-carbonyl chloride;hydrochloride
CID 142756427
5-Chloro-2-hydroxynicotinamide
CID 17855475
5-Bromo-2-hydroxynicotinoyl chloride
CID 86811337
5-Chloro-3-(chloromethyl)pyridin-2-ol
CID 129916553

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride (CID 45081691) is 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is SXCSSXXDORTUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2/c7-3-1-4(5(8)10)6(11)9-2-3/h1-2H,(H,9,11).
What are the key properties of 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride?
5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 192.00 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 45081691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).