3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile

C14H12FN3O — CID 67553656

IUPAC3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1cc(-c2cccnc2F)n2c1C(O)CCC2
InChIInChI=1S/C14H12FN3O/c15-14-10(3-1-5-17-14)11-7-9(8-16)13-12(19)4-2-6-18(11)13/h1,3,5,7,12,19H,2,4,6H2
InChIKeyWTFUICDUABTAHW-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.39
Rot. Bonds1

About 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile

3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile (PubChem CID 67553656) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile.

Molecular Properties

Compound Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile
PubChem CID67553656
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile
SMILESN#Cc1cc(-c2cccnc2F)n2c1C(O)CCC2
InChIInChI=1S/C14H12FN3O/c15-14-10(3-1-5-17-14)11-7-9(8-16)13-12(19)4-2-6-18(11)13/h1,3,5,7,12,19H,2,4,6H2
InChIKeyWTFUICDUABTAHW-UHFFFAOYSA-N
XLogP2.39
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile with MolForge

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Related Compounds

2F-Viminol
CID 57419227
1-(1-Methyl-1H-pyrrol-2-yl)-2-phenyl-2-piperidin-1-yl-ethanol
CID 11231451
((R)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-1-yl)-methanol
CID 44329093
((S)-7-Dipropylamino-5,6,7,8-tetrahydro-indolizin-1-yl)-methanol
CID 44329312
1-(1-Hydroxyethyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 491916
2,3-Bis(4-fluorophenyl)-1-[hydroxy(phenyl)methyl]indolizine-7-carbonitrile
CID 11293493
5,6-Difluoro-1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 162383497
(3-Fluorophenyl)(pyridin-2-yl)methanol
CID 23467199
6-(3-(Hydroxymethyl)phenyl)pyridine-3-carbonitrile
CID 56604446
1-(1-Hydroxypropyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102539
1-(1-Hydroxybutyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102540
1-(1-Hydroxypentyl)-2,3-diphenyl-indolizine-7-carbonitrile
CID 16102541

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The IUPAC name of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile (CID 67553656) is 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile.
What is the SMILES notation for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The canonical SMILES for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile is N#Cc1cc(-c2cccnc2F)n2c1C(O)CCC2.
What is the InChIKey of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
The InChIKey is WTFUICDUABTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-14-10(3-1-5-17-14)11-7-9(8-16)13-12(19)4-2-6-18(11)13/h1,3,5,7,12,19H,2,4,6H2.
What are the key properties of 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile?
3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile has a molecular weight of 257.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-pyridinyl)-8-hydroxy-5,6,7,8-tetrahydroindolizine-1-carbonitrile is sourced from PubChem (CID 67553656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).