2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine

C19H14FN3O — CID 90666128

IUPAC2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cccc(F)c3)c(-c3ccncc3)c2n1
InChIInChI=1S/C19H14FN3O/c1-24-16-6-5-15-19(23-16)17(12-7-9-21-10-8-12)18(22-15)13-3-2-4-14(20)11-13/h2-11,22H,1H3
InChIKeyZTSPJVCFRZCLND-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.44
Rot. Bonds3

About 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine

2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 90666128) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
PubChem CID90666128
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1ccc2[nH]c(-c3cccc(F)c3)c(-c3ccncc3)c2n1
InChIInChI=1S/C19H14FN3O/c1-24-16-6-5-15-19(23-16)17(12-7-9-21-10-8-12)18(22-15)13-3-2-4-14(20)11-13/h2-11,22H,1H3
InChIKeyZTSPJVCFRZCLND-UHFFFAOYSA-N
XLogP4.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine (CID 90666128) is 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine is COc1ccc2[nH]c(-c3cccc(F)c3)c(-c3ccncc3)c2n1.
What is the InChIKey of 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is ZTSPJVCFRZCLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-24-16-6-5-15-19(23-16)17(12-7-9-21-10-8-12)18(22-15)13-3-2-4-14(20)11-13/h2-11,22H,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine?
2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 319.34 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-methoxy-3-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 90666128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).