9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine

C26H20FNO — CID 22333304

IUPAC9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)c3c(n2)-c2cc(F)ccc2OC3)cc1
InChIInChI=1S/C26H20FNO/c1-16-3-7-18(8-4-16)21-14-24(19-9-5-17(2)6-10-19)28-26-22-13-20(27)11-12-25(22)29-15-23(21)26/h3-14H,15H2,1-2H3
InChIKeyBSIAMZXSKSVRDH-UHFFFAOYSA-N
MW381.45 g/mol
LogP6.73
Rot. Bonds2

About 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine

9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine (PubChem CID 22333304) has the molecular formula C26H20FNO and a molecular weight of 381.45 g/mol. Its IUPAC name is 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine
PubChem CID22333304
Molecular FormulaC26H20FNO
Molecular Weight381.45 g/mol
Exact Mass381.15
IUPAC Name9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)c3c(n2)-c2cc(F)ccc2OC3)cc1
InChIInChI=1S/C26H20FNO/c1-16-3-7-18(8-4-16)21-14-24(19-9-5-17(2)6-10-19)28-26-22-13-20(27)11-12-25(22)29-15-23(21)26/h3-14H,15H2,1-2H3
InChIKeyBSIAMZXSKSVRDH-UHFFFAOYSA-N
XLogP6.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine (CID 22333304) is 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine is Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(n2)-c2cc(F)ccc2OC3)cc1.
What is the InChIKey of 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine?
The InChIKey is BSIAMZXSKSVRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNO/c1-16-3-7-18(8-4-16)21-14-24(19-9-5-17(2)6-10-19)28-26-22-13-20(27)11-12-25(22)29-15-23(21)26/h3-14H,15H2,1-2H3.
What are the key properties of 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine?
9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine has a molecular weight of 381.45 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2,4-bis(4-methylphenyl)-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 22333304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).