2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine

C25H18BrNO — CID 22333276

IUPAC2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C25H18BrNO/c1-16-6-8-17(9-7-16)21-14-23(18-10-12-19(26)13-11-18)27-25-20-4-2-3-5-24(20)28-15-22(21)25/h2-14H,15H2,1H3
InChIKeyNCAYFVHIBWTIMR-UHFFFAOYSA-N
MW428.33 g/mol
LogP7.05
Rot. Bonds2

About 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine

2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine (PubChem CID 22333276) has the molecular formula C25H18BrNO and a molecular weight of 428.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine
PubChem CID22333276
Molecular FormulaC25H18BrNO
Molecular Weight428.33 g/mol
Exact Mass427.06
IUPAC Name2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C25H18BrNO/c1-16-6-8-17(9-7-16)21-14-23(18-10-12-19(26)13-11-18)27-25-20-4-2-3-5-24(20)28-15-22(21)25/h2-14H,15H2,1H3
InChIKeyNCAYFVHIBWTIMR-UHFFFAOYSA-N
XLogP7.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine (CID 22333276) is 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine is Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc3c2COc2ccccc2-3)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine?
The InChIKey is NCAYFVHIBWTIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrNO/c1-16-6-8-17(9-7-16)21-14-23(18-10-12-19(26)13-11-18)27-25-20-4-2-3-5-24(20)28-15-22(21)25/h2-14H,15H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine?
2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine has a molecular weight of 428.33 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-methylphenyl)-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 22333276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).