4-(3,4-dichlorophenoxy)-1,2-dihydropyridine

C11H9Cl2NO — CID 173201282

IUPAC4-(3,4-dichlorophenoxy)-1,2-dihydropyridine
SMILESClc1ccc(OC2=CCNC=C2)cc1Cl
InChIInChI=1S/C11H9Cl2NO/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8/h1-5,7,14H,6H2
InChIKeyVGSAWMKDPALPCH-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.37
Rot. Bonds2

About 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine

4-(3,4-dichlorophenoxy)-1,2-dihydropyridine (PubChem CID 173201282) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(3,4-dichlorophenoxy)-1,2-dihydropyridine
PubChem CID173201282
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name4-(3,4-dichlorophenoxy)-1,2-dihydropyridine
SMILESClc1ccc(OC2=CCNC=C2)cc1Cl
InChIInChI=1S/C11H9Cl2NO/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8/h1-5,7,14H,6H2
InChIKeyVGSAWMKDPALPCH-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine?
The IUPAC name of 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine (CID 173201282) is 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine.
What is the SMILES notation for 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine?
The canonical SMILES for 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine is Clc1ccc(OC2=CCNC=C2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine?
The InChIKey is VGSAWMKDPALPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8/h1-5,7,14H,6H2.
What are the key properties of 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine?
4-(3,4-dichlorophenoxy)-1,2-dihydropyridine has a molecular weight of 242.11 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenoxy)-1,2-dihydropyridine is sourced from PubChem (CID 173201282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).