2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol

C24H16ClNO2 — CID 155516858

IUPAC2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol
SMILESOc1cccc(-c2cc(-c3cccc(Cl)c3)nc3c2Cc2cc(O)ccc2-3)c1
InChIInChI=1S/C24H16ClNO2/c25-17-5-1-4-15(9-17)23-13-21(14-3-2-6-18(27)10-14)22-12-16-11-19(28)7-8-20(16)24(22)26-23/h1-11,13,27-28H,12H2
InChIKeyGVKQNSBQFGMEMX-UHFFFAOYSA-N
MW385.85 g/mol
LogP6.05
Rot. Bonds2

About 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol

2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol (PubChem CID 155516858) has the molecular formula C24H16ClNO2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol
PubChem CID155516858
Molecular FormulaC24H16ClNO2
Molecular Weight385.85 g/mol
Exact Mass385.09
IUPAC Name2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol
SMILESOc1cccc(-c2cc(-c3cccc(Cl)c3)nc3c2Cc2cc(O)ccc2-3)c1
InChIInChI=1S/C24H16ClNO2/c25-17-5-1-4-15(9-17)23-13-21(14-3-2-6-18(27)10-14)22-12-16-11-19(28)7-8-20(16)24(22)26-23/h1-11,13,27-28H,12H2
InChIKeyGVKQNSBQFGMEMX-UHFFFAOYSA-N
XLogP6.05
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol?
The IUPAC name of 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol (CID 155516858) is 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol?
The canonical SMILES for 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol is Oc1cccc(-c2cc(-c3cccc(Cl)c3)nc3c2Cc2cc(O)ccc2-3)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol?
The InChIKey is GVKQNSBQFGMEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClNO2/c25-17-5-1-4-15(9-17)23-13-21(14-3-2-6-18(27)10-14)22-12-16-11-19(28)7-8-20(16)24(22)26-23/h1-11,13,27-28H,12H2.
What are the key properties of 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol?
2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol has a molecular weight of 385.85 g/mol, XLogP of 6.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-7-ol is sourced from PubChem (CID 155516858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).