3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

C20H12FN3 — CID 44573241

IUPAC3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccccc3)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H12FN3/c21-15-8-6-13(7-9-15)18-19(14-4-2-1-3-5-14)24-17-11-10-16(12-22)23-20(17)18/h1-11,24H
InChIKeyIIXMQCCTIQXBBO-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.91
Rot. Bonds2

About 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 44573241) has the molecular formula C20H12FN3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID44573241
Molecular FormulaC20H12FN3
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC Name3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccccc3)c(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C20H12FN3/c21-15-8-6-13(7-9-15)18-19(14-4-2-1-3-5-14)24-17-11-10-16(12-22)23-20(17)18/h1-11,24H
InChIKeyIIXMQCCTIQXBBO-UHFFFAOYSA-N
XLogP4.91
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 44573241) is 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is N#Cc1ccc2[nH]c(-c3ccccc3)c(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is IIXMQCCTIQXBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3/c21-15-8-6-13(7-9-15)18-19(14-4-2-1-3-5-14)24-17-11-10-16(12-22)23-20(17)18/h1-11,24H.
What are the key properties of 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 313.34 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 44573241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).