3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine

C18H12FN3O — CID 90930401

IUPAC3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine
SMILESOn1c(-c2ccccn2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C18H12FN3O/c19-13-8-6-12(7-9-13)16-17-15(5-3-11-21-17)22(23)18(16)14-4-1-2-10-20-14/h1-11,23H
InChIKeyPYTPVHPZOOFVLM-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.14
Rot. Bonds2

About 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine

3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine (PubChem CID 90930401) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine
PubChem CID90930401
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine
SMILESOn1c(-c2ccccn2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C18H12FN3O/c19-13-8-6-12(7-9-13)16-17-15(5-3-11-21-17)22(23)18(16)14-4-1-2-10-20-14/h1-11,23H
InChIKeyPYTPVHPZOOFVLM-UHFFFAOYSA-N
XLogP4.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25100450
3-(4-fluorophenyl)-2-pyridin-2-ylpyrazolo[1,5-a]pyridine
CID 69224780
5,10-bis(4-fluorophenyl)benzo[g]quinoline
CID 59183532
bis(2-(4-fluorophenyl)pyridine);iridium(3+);trihexafluorophosphate
CID 175720169
3-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
CID 25101367
methyl 2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]acetate
CID 25101812
4,6-dichloro-5-(4-fluorophenyl)-2-pyridin-2-ylpyrimidine
CID 79431898
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 11014525
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(1-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 23647186
4-[2-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine dichloride
CID 56946930
1-phenyl-3-(1-phenyl-2-pyridin-2-ylindol-3-yl)-2-pyridin-2-ylindole
CID 101437629

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine (CID 90930401) is 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine is On1c(-c2ccccn2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine?
The InChIKey is PYTPVHPZOOFVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-13-8-6-12(7-9-13)16-17-15(5-3-11-21-17)22(23)18(16)14-4-1-2-10-20-14/h1-11,23H.
What are the key properties of 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine?
3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine has a molecular weight of 305.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 90930401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).