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

C25H18FNO — CID 22333303

IUPAC9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc3c2COc2ccc(F)cc2-3)cc1
InChIInChI=1S/C25H18FNO/c1-16-7-9-17(10-8-16)20-14-23(18-5-3-2-4-6-18)27-25-21-13-19(26)11-12-24(21)28-15-22(20)25/h2-14H,15H2,1H3
InChIKeyQQQHVXYUFUIIHF-UHFFFAOYSA-N
MW367.42 g/mol
LogP6.42
Rot. Bonds2

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

9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine (PubChem CID 22333303) has the molecular formula C25H18FNO and a molecular weight of 367.42 g/mol. Its IUPAC name is 9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine
PubChem CID22333303
Molecular FormulaC25H18FNO
Molecular Weight367.42 g/mol
Exact Mass367.14
IUPAC Name9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine
SMILESCc1ccc(-c2cc(-c3ccccc3)nc3c2COc2ccc(F)cc2-3)cc1
InChIInChI=1S/C25H18FNO/c1-16-7-9-17(10-8-16)20-14-23(18-5-3-2-4-6-18)27-25-21-13-19(26)11-12-24(21)28-15-22(20)25/h2-14H,15H2,1H3
InChIKeyQQQHVXYUFUIIHF-UHFFFAOYSA-N
XLogP6.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine (CID 22333303) is 9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine is Cc1ccc(-c2cc(-c3ccccc3)nc3c2COc2ccc(F)cc2-3)cc1.
What is the InChIKey of 9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine?
The InChIKey is QQQHVXYUFUIIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO/c1-16-7-9-17(10-8-16)20-14-23(18-5-3-2-4-6-18)27-25-21-13-19(26)11-12-24(21)28-15-22(20)25/h2-14H,15H2,1H3.
What are the key properties of 9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine?
9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine has a molecular weight of 367.42 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-(4-methylphenyl)-2-phenyl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 22333303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).