5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile

C12H11F4N3 — CID 118007987

IUPAC5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCC(C(F)(F)F)CC2)c(F)cn1
InChIInChI=1S/C12H11F4N3/c13-10-7-18-9(6-17)5-11(10)19-3-1-8(2-4-19)12(14,15)16/h5,7-8H,1-4H2
InChIKeyFSLNAJDYHFKNIK-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.87
Rot. Bonds1

About 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile

5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 118007987) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID118007987
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCC(C(F)(F)F)CC2)c(F)cn1
InChIInChI=1S/C12H11F4N3/c13-10-7-18-9(6-17)5-11(10)19-3-1-8(2-4-19)12(14,15)16/h5,7-8H,1-4H2
InChIKeyFSLNAJDYHFKNIK-UHFFFAOYSA-N
XLogP2.87
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethyl)isonicotinonitrile
CID 75406284
Pyridine, 4-(4-methyl-1-piperidinyl)-
CID 157352
2-(Trifluoromethyl)isonicotinonitrile
CID 53403825
4-(Piperidin-1-yl)pyridine-2-carbonitrile
CID 477660
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)pyridine-4-carbonitrile
CID 16107287
4-(Trifluoromethyl)pyridine-2-carbonitrile
CID 20310453
5-Fluoro-2-(trifluoromethyl)pyridin-4-amine
CID 72213528
4,5-Difluoropyridine-2-carbonitrile
CID 118845170
4-Amino-2-(piperidin-4-ylidenemethyl)pyridine-3-carbonitrile
CID 171344890
2-Fluoro-4-(piperidin-1-yl)pyridine
CID 101495803
4-(Difluoromethyl)picolinonitrile
CID 118415320
5-(Piperidin-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 155936942

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 118007987) is 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCC(C(F)(F)F)CC2)c(F)cn1.
What is the InChIKey of 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is FSLNAJDYHFKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c13-10-7-18-9(6-17)5-11(10)19-3-1-8(2-4-19)12(14,15)16/h5,7-8H,1-4H2.
What are the key properties of 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile?
5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 273.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118007987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).