4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine

C23H16N2O — CID 53377304

IUPAC4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccn3)nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C23H16N2O/c1-2-8-16(9-3-1)18-14-21(20-11-6-7-13-24-20)25-23-17-10-4-5-12-22(17)26-15-19(18)23/h1-14H,15H2
InChIKeyRXMCSNSIRDCMTB-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.37
Rot. Bonds2

About 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine

4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine (PubChem CID 53377304) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine
PubChem CID53377304
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccccn3)nc3c2COc2ccccc2-3)cc1
InChIInChI=1S/C23H16N2O/c1-2-8-16(9-3-1)18-14-21(20-11-6-7-13-24-20)25-23-17-10-4-5-12-22(17)26-15-19(18)23/h1-14H,15H2
InChIKeyRXMCSNSIRDCMTB-UHFFFAOYSA-N
XLogP5.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine (CID 53377304) is 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine is c1ccc(-c2cc(-c3ccccn3)nc3c2COc2ccccc2-3)cc1.
What is the InChIKey of 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine?
The InChIKey is RXMCSNSIRDCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-2-8-16(9-3-1)18-14-21(20-11-6-7-13-24-20)25-23-17-10-4-5-12-22(17)26-15-19(18)23/h1-14H,15H2.
What are the key properties of 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine?
4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine has a molecular weight of 336.39 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 53377304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).