6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C15H14BrNO — CID 514899

IUPAC6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCc1ccc(C2CCc3cc(Br)cnc3O2)cc1
InChIInChI=1S/C15H14BrNO/c1-10-2-4-11(5-3-10)14-7-6-12-8-13(16)9-17-15(12)18-14/h2-5,8-9,14H,6-7H2,1H3
InChIKeyJVZXWZXGTDWIQW-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.22
Rot. Bonds1

About 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 514899) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID514899
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCc1ccc(C2CCc3cc(Br)cnc3O2)cc1
InChIInChI=1S/C15H14BrNO/c1-10-2-4-11(5-3-10)14-7-6-12-8-13(16)9-17-15(12)18-14/h2-5,8-9,14H,6-7H2,1H3
InChIKeyJVZXWZXGTDWIQW-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 514899) is 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is Cc1ccc(C2CCc3cc(Br)cnc3O2)cc1.
What is the InChIKey of 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is JVZXWZXGTDWIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-2-4-11(5-3-10)14-7-6-12-8-13(16)9-17-15(12)18-14/h2-5,8-9,14H,6-7H2,1H3.
What are the key properties of 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 304.19 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 514899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).