6-chloro-1,2-dihydropyridine-3-carbonyl chloride

C6H5Cl2NO — CID 126514813

IUPAC6-chloro-1,2-dihydropyridine-3-carbonyl chloride
SMILESO=C(Cl)C1=CC=C(Cl)NC1
InChIInChI=1S/C6H5Cl2NO/c7-5-2-1-4(3-9-5)6(8)10/h1-2,9H,3H2
InChIKeyKAZKAHMJKLJAHH-UHFFFAOYSA-N
MW178.02 g/mol
LogP1.36
Rot. Bonds1

About 6-chloro-1,2-dihydropyridine-3-carbonyl chloride

6-chloro-1,2-dihydropyridine-3-carbonyl chloride (PubChem CID 126514813) has the molecular formula C6H5Cl2NO and a molecular weight of 178.02 g/mol. Its IUPAC name is 6-chloro-1,2-dihydropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-chloro-1,2-dihydropyridine-3-carbonyl chloride
PubChem CID126514813
Molecular FormulaC6H5Cl2NO
Molecular Weight178.02 g/mol
Exact Mass176.97
IUPAC Name6-chloro-1,2-dihydropyridine-3-carbonyl chloride
SMILESO=C(Cl)C1=CC=C(Cl)NC1
InChIInChI=1S/C6H5Cl2NO/c7-5-2-1-4(3-9-5)6(8)10/h1-2,9H,3H2
InChIKeyKAZKAHMJKLJAHH-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2-dihydropyridine-3-carbonyl chloride?
The IUPAC name of 6-chloro-1,2-dihydropyridine-3-carbonyl chloride (CID 126514813) is 6-chloro-1,2-dihydropyridine-3-carbonyl chloride.
What is the SMILES notation for 6-chloro-1,2-dihydropyridine-3-carbonyl chloride?
The canonical SMILES for 6-chloro-1,2-dihydropyridine-3-carbonyl chloride is O=C(Cl)C1=CC=C(Cl)NC1.
What is the InChIKey of 6-chloro-1,2-dihydropyridine-3-carbonyl chloride?
The InChIKey is KAZKAHMJKLJAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO/c7-5-2-1-4(3-9-5)6(8)10/h1-2,9H,3H2.
What are the key properties of 6-chloro-1,2-dihydropyridine-3-carbonyl chloride?
6-chloro-1,2-dihydropyridine-3-carbonyl chloride has a molecular weight of 178.02 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2-dihydropyridine-3-carbonyl chloride is sourced from PubChem (CID 126514813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).