(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C12H12F4N2O — CID 115496980

IUPAC(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)n1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H12F4N2O/c13-10-5-1-4-9(17-10)11(19)18-6-2-3-8(7-18)12(14,15)16/h1,4-5,8H,2-3,6-7H2
InChIKeyNHORAZQPXFAMDM-UHFFFAOYSA-N
MW276.23 g/mol
LogP2.64
Rot. Bonds1

About (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 115496980) has the molecular formula C12H12F4N2O and a molecular weight of 276.23 g/mol. Its IUPAC name is (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID115496980
Molecular FormulaC12H12F4N2O
Molecular Weight276.23 g/mol
Exact Mass276.09
IUPAC Name(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)n1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H12F4N2O/c13-10-5-1-4-9(17-10)11(19)18-6-2-3-8(7-18)12(14,15)16/h1,4-5,8H,2-3,6-7H2
InChIKeyNHORAZQPXFAMDM-UHFFFAOYSA-N
XLogP2.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160
[1-(3-fluorophenyl)pyrazol-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95583484
1-[(2S)-1-(6-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 58533268
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
(6-fluoro-2-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 113323648
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 104641627
(6-fluoro-2-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115497823

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 115496980) is (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cccc(F)n1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is NHORAZQPXFAMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O/c13-10-5-1-4-9(17-10)11(19)18-6-2-3-8(7-18)12(14,15)16/h1,4-5,8H,2-3,6-7H2.
What are the key properties of (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 276.23 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 115496980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).