6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride

C13H9Cl2NO — CID 59290909

IUPAC6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cccc(-c2ccc(CCl)cc2)n1
InChIInChI=1S/C13H9Cl2NO/c14-8-9-4-6-10(7-5-9)11-2-1-3-12(16-11)13(15)17/h1-7H,8H2
InChIKeyOLWYREKEUSKUPJ-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.87
Rot. Bonds3

About 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride

6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride (PubChem CID 59290909) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride
PubChem CID59290909
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cccc(-c2ccc(CCl)cc2)n1
InChIInChI=1S/C13H9Cl2NO/c14-8-9-4-6-10(7-5-9)11-2-1-3-12(16-11)13(15)17/h1-7H,8H2
InChIKeyOLWYREKEUSKUPJ-UHFFFAOYSA-N
XLogP3.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride?
The IUPAC name of 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride (CID 59290909) is 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride.
What is the SMILES notation for 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride?
The canonical SMILES for 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride is O=C(Cl)c1cccc(-c2ccc(CCl)cc2)n1.
What is the InChIKey of 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride?
The InChIKey is OLWYREKEUSKUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c14-8-9-4-6-10(7-5-9)11-2-1-3-12(16-11)13(15)17/h1-7H,8H2.
What are the key properties of 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride?
6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride has a molecular weight of 266.13 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(chloromethyl)phenyl]pyridine-2-carbonyl chloride is sourced from PubChem (CID 59290909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).