6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine

C15H12Cl3NO — CID 514911

IUPAC6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine
SMILESCC1(c2ccc(Cl)c(Cl)c2)CCc2cc(Cl)cnc2O1
InChIInChI=1S/C15H12Cl3NO/c1-15(10-2-3-12(17)13(18)7-10)5-4-9-6-11(16)8-19-14(9)20-15/h2-3,6-8H,4-5H2,1H3
InChIKeyCLMOJMGQOOXBMX-UHFFFAOYSA-N
MW328.63 g/mol
LogP5.28
Rot. Bonds1

About 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine

6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine (PubChem CID 514911) has the molecular formula C15H12Cl3NO and a molecular weight of 328.63 g/mol. Its IUPAC name is 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine
PubChem CID514911
Molecular FormulaC15H12Cl3NO
Molecular Weight328.63 g/mol
Exact Mass327.00
IUPAC Name6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine
SMILESCC1(c2ccc(Cl)c(Cl)c2)CCc2cc(Cl)cnc2O1
InChIInChI=1S/C15H12Cl3NO/c1-15(10-2-3-12(17)13(18)7-10)5-4-9-6-11(16)8-19-14(9)20-15/h2-3,6-8H,4-5H2,1H3
InChIKeyCLMOJMGQOOXBMX-UHFFFAOYSA-N
XLogP5.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.63
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine?
The IUPAC name of 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine (CID 514911) is 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine?
The canonical SMILES for 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine is CC1(c2ccc(Cl)c(Cl)c2)CCc2cc(Cl)cnc2O1.
What is the InChIKey of 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine?
The InChIKey is CLMOJMGQOOXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO/c1-15(10-2-3-12(17)13(18)7-10)5-4-9-6-11(16)8-19-14(9)20-15/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine?
6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine has a molecular weight of 328.63 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-dichlorophenyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine is sourced from PubChem (CID 514911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).