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

C12H14F4N2 — CID 118008416

IUPAC5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)c(F)cn1
InChIInChI=1S/C12H14F4N2/c1-8-6-11(10(13)7-17-8)18-4-2-9(3-5-18)12(14,15)16/h6-7,9H,2-5H2,1H3
InChIKeyQZWLLVOODZPXJH-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.31
Rot. Bonds1

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

5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine (PubChem CID 118008416) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
PubChem CID118008416
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
SMILESCc1cc(N2CCC(C(F)(F)F)CC2)c(F)cn1
InChIInChI=1S/C12H14F4N2/c1-8-6-11(10(13)7-17-8)18-4-2-9(3-5-18)12(14,15)16/h6-7,9H,2-5H2,1H3
InChIKeyQZWLLVOODZPXJH-UHFFFAOYSA-N
XLogP3.31
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine;5-fluoro-2-isocyano-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 160739521
5-fluoro-4-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 103590507
2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbothioamide
CID 81035294
2,5-difluoro-4-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 142449315
2,5-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166062363
(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79010590
5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 171615159
1-(2,5-dimethyl-4-pyridinyl)pyrrolidin-3-amine
CID 83829915
4-methyl-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 169123909
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 155974055
(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 81248549
5-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]benzaldehyde
CID 114844393

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The IUPAC name of 5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine (CID 118008416) is 5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine is Cc1cc(N2CCC(C(F)(F)F)CC2)c(F)cn1.
What is the InChIKey of 5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
The InChIKey is QZWLLVOODZPXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c1-8-6-11(10(13)7-17-8)18-4-2-9(3-5-18)12(14,15)16/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine?
5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine has a molecular weight of 262.25 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 118008416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).