2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol

C19H14ClFN2O — CID 67052894

IUPAC2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol
SMILESOC1=C(c2ccccc2)CNc2cc(Cl)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C19H14ClFN2O/c20-17-10-16-18(23(17)14-8-6-13(21)7-9-14)19(24)15(11-22-16)12-4-2-1-3-5-12/h1-10,22,24H,11H2
InChIKeyXXSALYJVSAHYRG-UHFFFAOYSA-N
MW340.79 g/mol
LogP5.12
Rot. Bonds2

About 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol

2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol (PubChem CID 67052894) has the molecular formula C19H14ClFN2O and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol.

Molecular Properties

Compound Name2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol
PubChem CID67052894
Molecular FormulaC19H14ClFN2O
Molecular Weight340.79 g/mol
Exact Mass340.08
IUPAC Name2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol
SMILESOC1=C(c2ccccc2)CNc2cc(Cl)n(-c3ccc(F)cc3)c21
InChIInChI=1S/C19H14ClFN2O/c20-17-10-16-18(23(17)14-8-6-13(21)7-9-14)19(24)15(11-22-16)12-4-2-1-3-5-12/h1-10,22,24H,11H2
InChIKeyXXSALYJVSAHYRG-UHFFFAOYSA-N
XLogP5.12
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.79
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol?
The IUPAC name of 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol (CID 67052894) is 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol.
What is the SMILES notation for 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol?
The canonical SMILES for 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol is OC1=C(c2ccccc2)CNc2cc(Cl)n(-c3ccc(F)cc3)c21.
What is the InChIKey of 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol?
The InChIKey is XXSALYJVSAHYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O/c20-17-10-16-18(23(17)14-8-6-13(21)7-9-14)19(24)15(11-22-16)12-4-2-1-3-5-12/h1-10,22,24H,11H2.
What are the key properties of 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol?
2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol has a molecular weight of 340.79 g/mol, XLogP of 5.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(4-fluorophenyl)-6-phenyl-4,5-dihydropyrrolo[3,2-b]pyridin-7-ol is sourced from PubChem (CID 67052894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).