3,5-dichloropyridine-4-carbonyl chloride

C6H2Cl3NO — CID 11572022

IUPAC3,5-dichloropyridine-4-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)cncc1Cl
InChIInChI=1S/C6H2Cl3NO/c7-3-1-10-2-4(8)5(3)6(9)11/h1-2H
InChIKeyGYEWEUCHJJZGFQ-UHFFFAOYSA-N
MW210.45 g/mol
LogP2.77
Rot. Bonds1

About 3,5-dichloropyridine-4-carbonyl chloride

3,5-dichloropyridine-4-carbonyl chloride (PubChem CID 11572022) has the molecular formula C6H2Cl3NO and a molecular weight of 210.45 g/mol. Its IUPAC name is 3,5-dichloropyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3,5-dichloropyridine-4-carbonyl chloride
PubChem CID11572022
Molecular FormulaC6H2Cl3NO
Molecular Weight210.45 g/mol
Exact Mass208.92
IUPAC Name3,5-dichloropyridine-4-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)cncc1Cl
InChIInChI=1S/C6H2Cl3NO/c7-3-1-10-2-4(8)5(3)6(9)11/h1-2H
InChIKeyGYEWEUCHJJZGFQ-UHFFFAOYSA-N
XLogP2.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.45
LogP ≤ 52.77
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 3,5-dichloropyridine-4-carbonyl chloride?
The IUPAC name of 3,5-dichloropyridine-4-carbonyl chloride (CID 11572022) is 3,5-dichloropyridine-4-carbonyl chloride.
What is the SMILES notation for 3,5-dichloropyridine-4-carbonyl chloride?
The canonical SMILES for 3,5-dichloropyridine-4-carbonyl chloride is O=C(Cl)c1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloropyridine-4-carbonyl chloride?
The InChIKey is GYEWEUCHJJZGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl3NO/c7-3-1-10-2-4(8)5(3)6(9)11/h1-2H.
What are the key properties of 3,5-dichloropyridine-4-carbonyl chloride?
3,5-dichloropyridine-4-carbonyl chloride has a molecular weight of 210.45 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloropyridine-4-carbonyl chloride is sourced from PubChem (CID 11572022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).