4-chloropyridine-2-carbonyl chloride

C6H3Cl2NO — CID 11095146

IUPAC4-chloropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(Cl)ccn1
InChIInChI=1S/C6H3Cl2NO/c7-4-1-2-9-5(3-4)6(8)10/h1-3H
InChIKeyFYBNFLRGZHGUDY-UHFFFAOYSA-N
MW176.00 g/mol
LogP2.11
Rot. Bonds1

About 4-chloropyridine-2-carbonyl chloride

4-chloropyridine-2-carbonyl chloride (PubChem CID 11095146) has the molecular formula C6H3Cl2NO and a molecular weight of 176.00 g/mol. Its IUPAC name is 4-chloropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-chloropyridine-2-carbonyl chloride
PubChem CID11095146
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00 g/mol
Exact Mass174.96
IUPAC Name4-chloropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(Cl)ccn1
InChIInChI=1S/C6H3Cl2NO/c7-4-1-2-9-5(3-4)6(8)10/h1-3H
InChIKeyFYBNFLRGZHGUDY-UHFFFAOYSA-N
XLogP2.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.00
LogP ≤ 52.11
H-Bond Donors ≤ 50
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 4-chloropyridine-2-carbonyl chloride?
The IUPAC name of 4-chloropyridine-2-carbonyl chloride (CID 11095146) is 4-chloropyridine-2-carbonyl chloride.
What is the SMILES notation for 4-chloropyridine-2-carbonyl chloride?
The canonical SMILES for 4-chloropyridine-2-carbonyl chloride is O=C(Cl)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloropyridine-2-carbonyl chloride?
The InChIKey is FYBNFLRGZHGUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO/c7-4-1-2-9-5(3-4)6(8)10/h1-3H.
What are the key properties of 4-chloropyridine-2-carbonyl chloride?
4-chloropyridine-2-carbonyl chloride has a molecular weight of 176.00 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine-2-carbonyl chloride is sourced from PubChem (CID 11095146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).