4-(3,5-dichlorophenyl)-1,2-dihydropyridine

C11H9Cl2N — CID 173061579

IUPAC4-(3,5-dichlorophenyl)-1,2-dihydropyridine
SMILESClc1cc(Cl)cc(C2=CCNC=C2)c1
InChIInChI=1S/C11H9Cl2N/c12-10-5-9(6-11(13)7-10)8-1-3-14-4-2-8/h1-3,5-7,14H,4H2
InChIKeyOCPNCUARVUXVHW-UHFFFAOYSA-N
MW226.11 g/mol
LogP3.49
Rot. Bonds1

About 4-(3,5-dichlorophenyl)-1,2-dihydropyridine

4-(3,5-dichlorophenyl)-1,2-dihydropyridine (PubChem CID 173061579) has the molecular formula C11H9Cl2N and a molecular weight of 226.11 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-1,2-dihydropyridine
PubChem CID173061579
Molecular FormulaC11H9Cl2N
Molecular Weight226.11 g/mol
Exact Mass225.01
IUPAC Name4-(3,5-dichlorophenyl)-1,2-dihydropyridine
SMILESClc1cc(Cl)cc(C2=CCNC=C2)c1
InChIInChI=1S/C11H9Cl2N/c12-10-5-9(6-11(13)7-10)8-1-3-14-4-2-8/h1-3,5-7,14H,4H2
InChIKeyOCPNCUARVUXVHW-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-1,2-dihydropyridine?
The IUPAC name of 4-(3,5-dichlorophenyl)-1,2-dihydropyridine (CID 173061579) is 4-(3,5-dichlorophenyl)-1,2-dihydropyridine.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-1,2-dihydropyridine?
The canonical SMILES for 4-(3,5-dichlorophenyl)-1,2-dihydropyridine is Clc1cc(Cl)cc(C2=CCNC=C2)c1.
What is the InChIKey of 4-(3,5-dichlorophenyl)-1,2-dihydropyridine?
The InChIKey is OCPNCUARVUXVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N/c12-10-5-9(6-11(13)7-10)8-1-3-14-4-2-8/h1-3,5-7,14H,4H2.
What are the key properties of 4-(3,5-dichlorophenyl)-1,2-dihydropyridine?
4-(3,5-dichlorophenyl)-1,2-dihydropyridine has a molecular weight of 226.11 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-1,2-dihydropyridine is sourced from PubChem (CID 173061579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).