5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid

C24H18N2O3 — CID 59214695

IUPAC5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ncc1O
InChIInChI=1S/C24H18N2O3/c27-22-14-25-23(13-19(22)24(28)29)26-20-11-10-15-6-4-5-9-17(15)18(20)12-21(26)16-7-2-1-3-8-16/h1-9,12-14,27H,10-11H2,(H,28,29)
InChIKeyCAHSFHRYKPUGBV-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.71
Rot. Bonds3

About 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid

5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid (PubChem CID 59214695) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid
PubChem CID59214695
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ncc1O
InChIInChI=1S/C24H18N2O3/c27-22-14-25-23(13-19(22)24(28)29)26-20-11-10-15-6-4-5-9-17(15)18(20)12-21(26)16-7-2-1-3-8-16/h1-9,12-14,27H,10-11H2,(H,28,29)
InChIKeyCAHSFHRYKPUGBV-UHFFFAOYSA-N
XLogP4.71
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid (CID 59214695) is 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid is O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ncc1O.
What is the InChIKey of 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid?
The InChIKey is CAHSFHRYKPUGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c27-22-14-25-23(13-19(22)24(28)29)26-20-11-10-15-6-4-5-9-17(15)18(20)12-21(26)16-7-2-1-3-8-16/h1-9,12-14,27H,10-11H2,(H,28,29).
What are the key properties of 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid?
5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-phenyl-4,5-dihydrobenzo[e]indol-3-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 59214695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).