3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile

C15H14FN3 — CID 62895527

IUPAC3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCc1ccccc1F
InChIInChI=1S/C15H14FN3/c16-14-6-2-1-4-12(14)7-9-18-11-13-5-3-8-19-15(13)10-17/h1-6,8,18H,7,9,11H2
InChIKeyYILHRYCPTBZSPB-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.42
Rot. Bonds5

About 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile

3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62895527) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
PubChem CID62895527
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCc1ccccc1F
InChIInChI=1S/C15H14FN3/c16-14-6-2-1-4-12(14)7-9-18-11-13-5-3-8-19-15(13)10-17/h1-6,8,18H,7,9,11H2
InChIKeyYILHRYCPTBZSPB-UHFFFAOYSA-N
XLogP2.42
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
CID 55127965
3-[(4,4,4-trifluorobutylamino)methyl]pyridine-2-carbonitrile
CID 113327330
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895253
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
CID 62895867
3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile
CID 107317244
3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 55128646
3-[(2-methylsulfonylethylamino)methyl]pyridine-2-carbonitrile
CID 62894530
1-(3-cyanopyrazin-2-yl)-3-[2-(2-fluorophenyl)ethyl]thiourea
CID 19703623
3,5-difluoro-4-[[2-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 107037514
3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile
CID 62893680

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile (CID 62895527) is 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNCCc1ccccc1F.
What is the InChIKey of 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is YILHRYCPTBZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c16-14-6-2-1-4-12(14)7-9-18-11-13-5-3-8-19-15(13)10-17/h1-6,8,18H,7,9,11H2.
What are the key properties of 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile?
3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).