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

C20H14FN3 — CID 25100450

IUPAC1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESC=Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C20H14FN3/c1-2-24-17-4-3-11-23-19(17)18(14-5-7-16(21)8-6-14)20(24)15-9-12-22-13-10-15/h2-13H,1H2
InChIKeyWHCIBWIHADMUFB-UHFFFAOYSA-N
MW315.35 g/mol
LogP5.00
Rot. Bonds3

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

1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (PubChem CID 25100450) has the molecular formula C20H14FN3 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
PubChem CID25100450
Molecular FormulaC20H14FN3
Molecular Weight315.35 g/mol
Exact Mass315.12
IUPAC Name1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESC=Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C20H14FN3/c1-2-24-17-4-3-11-23-19(17)18(14-5-7-16(21)8-6-14)20(24)15-9-12-22-13-10-15/h2-13H,1H2
InChIKeyWHCIBWIHADMUFB-UHFFFAOYSA-N
XLogP5.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
3-(4-chlorophenyl)-1-(1,1-difluorobuta-1,3-dien-2-yl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25100744
3-(3-fluorophenyl)-1-methyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101059
7-(4-fluorophenyl)-5-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
CID 67240962
3-(4-fluorophenyl)-1-hydroxy-2-pyridin-2-ylpyrrolo[3,2-b]pyridine
CID 90930401
1-methyl-3-(3-methylphenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101369
5,10-bis(4-fluorophenyl)benzo[g]quinoline
CID 59183532
3-(4-fluorophenyl)-5-methyl-1-prop-2-ynyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
CID 25101816

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (CID 25100450) is 1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is C=Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The InChIKey is WHCIBWIHADMUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3/c1-2-24-17-4-3-11-23-19(17)18(14-5-7-16(21)8-6-14)20(24)15-9-12-22-13-10-15/h2-13H,1H2.
What are the key properties of 1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine has a molecular weight of 315.35 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 25100450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).