2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile

C19H18FN3 — CID 162379898

IUPAC2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile
SMILESN#Cc1ccc(N2CC3(CC(Cc4cccnc4)C3)C2)cc1F
InChIInChI=1S/C19H18FN3/c20-18-7-17(4-3-16(18)10-21)23-12-19(13-23)8-15(9-19)6-14-2-1-5-22-11-14/h1-5,7,11,15H,6,8-9,12-13H2
InChIKeyUOSXJZFQPJOFNW-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.55
Rot. Bonds3

About 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile

2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile (PubChem CID 162379898) has the molecular formula C19H18FN3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile
PubChem CID162379898
Molecular FormulaC19H18FN3
Molecular Weight307.37 g/mol
Exact Mass307.15
IUPAC Name2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile
SMILESN#Cc1ccc(N2CC3(CC(Cc4cccnc4)C3)C2)cc1F
InChIInChI=1S/C19H18FN3/c20-18-7-17(4-3-16(18)10-21)23-12-19(13-23)8-15(9-19)6-14-2-1-5-22-11-14/h1-5,7,11,15H,6,8-9,12-13H2
InChIKeyUOSXJZFQPJOFNW-UHFFFAOYSA-N
XLogP3.55
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenyl)-6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptane
CID 162379993
2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptane
CID 162379901
5-(2-azaspiro[3.4]octan-2-yl)-2-fluorobenzonitrile
CID 79686555
1-methyl-3-(pyridin-3-ylmethyl)cyclopentane-1-carbonitrile
CID 142227675
2-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzonitrile
CID 113295742
2-fluoro-4-(3,4,5-trimethylpiperazin-1-yl)benzonitrile
CID 114536900
2-fluoro-4-[[[(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]amino]methyl]benzonitrile
CID 128987673
2-fluoro-4-(3-methylpyrrolidin-1-yl)benzonitrile
CID 115367221
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-fluorobenzonitrile
CID 115367471
2-fluoro-4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzonitrile
CID 122650593
[9-(pyridin-3-ylmethyl)spiro[5.5]undecan-3-yl]methanol
CID 15234849
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile (CID 162379898) is 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile is N#Cc1ccc(N2CC3(CC(Cc4cccnc4)C3)C2)cc1F.
What is the InChIKey of 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile?
The InChIKey is UOSXJZFQPJOFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3/c20-18-7-17(4-3-16(18)10-21)23-12-19(13-23)8-15(9-19)6-14-2-1-5-22-11-14/h1-5,7,11,15H,6,8-9,12-13H2.
What are the key properties of 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile?
2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile has a molecular weight of 307.37 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-(pyridin-3-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]benzonitrile is sourced from PubChem (CID 162379898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).