4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile

C14H10FN3 — CID 175223732

IUPAC4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile
SMILESN#CN1Cc2nccc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H10FN3/c15-11-3-1-10(2-4-11)12-5-6-17-14-8-18(9-16)7-13(12)14/h1-6H,7-8H2
InChIKeyOWKYFHPTAOBTKP-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.68
Rot. Bonds1

About 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile

4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile (PubChem CID 175223732) has the molecular formula C14H10FN3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile
PubChem CID175223732
Molecular FormulaC14H10FN3
Molecular Weight239.25 g/mol
Exact Mass239.09
IUPAC Name4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile
SMILESN#CN1Cc2nccc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C14H10FN3/c15-11-3-1-10(2-4-11)12-5-6-17-14-8-18(9-16)7-13(12)14/h1-6H,7-8H2
InChIKeyOWKYFHPTAOBTKP-UHFFFAOYSA-N
XLogP2.68
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile (CID 175223732) is 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile is N#CN1Cc2nccc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile?
The InChIKey is OWKYFHPTAOBTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3/c15-11-3-1-10(2-4-11)12-5-6-17-14-8-18(9-16)7-13(12)14/h1-6H,7-8H2.
What are the key properties of 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile?
4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile has a molecular weight of 239.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 175223732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).