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

C24H14ClF2NO — CID 22333309

IUPAC4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine
SMILESFc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2cc(F)ccc2OC3)cc1
InChIInChI=1S/C24H14ClF2NO/c25-16-5-1-14(2-6-16)19-12-22(15-3-7-17(26)8-4-15)28-24-20-11-18(27)9-10-23(20)29-13-21(19)24/h1-12H,13H2
InChIKeyCBJIAIIMRLANOH-UHFFFAOYSA-N
MW405.83 g/mol
LogP6.91
Rot. Bonds2

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

4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine (PubChem CID 22333309) has the molecular formula C24H14ClF2NO and a molecular weight of 405.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine
PubChem CID22333309
Molecular FormulaC24H14ClF2NO
Molecular Weight405.83 g/mol
Exact Mass405.07
IUPAC Name4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine
SMILESFc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2cc(F)ccc2OC3)cc1
InChIInChI=1S/C24H14ClF2NO/c25-16-5-1-14(2-6-16)19-12-22(15-3-7-17(26)8-4-15)28-24-20-11-18(27)9-10-23(20)29-13-21(19)24/h1-12H,13H2
InChIKeyCBJIAIIMRLANOH-UHFFFAOYSA-N
XLogP6.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.83
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine (CID 22333309) is 4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine is Fc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(n2)-c2cc(F)ccc2OC3)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine?
The InChIKey is CBJIAIIMRLANOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF2NO/c25-16-5-1-14(2-6-16)19-12-22(15-3-7-17(26)8-4-15)28-24-20-11-18(27)9-10-23(20)29-13-21(19)24/h1-12H,13H2.
What are the key properties of 4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine?
4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine has a molecular weight of 405.83 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-9-fluoro-2-(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 22333309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).