[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

C8H9F3N2O — CID 16789486

IUPAC[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESNCc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-2-1-6(3-12)4-13-7/h1-2,4H,3,5,12H2
InChIKeyZZQBFHLZCABDRY-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.48
Rot. Bonds3

About [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (PubChem CID 16789486) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
PubChem CID16789486
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESNCc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-2-1-6(3-12)4-13-7/h1-2,4H,3,5,12H2
InChIKeyZZQBFHLZCABDRY-UHFFFAOYSA-N
XLogP1.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Florbetapir F-18
CID 24822371
4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
2-Phenoxynicotinonitrile
CID 84242
5-Amino-2-butoxypyridine
CID 68314
Pyridine, 2-methoxy-4-(trifluoromethyl)-
CID 18539797
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
2-Ethoxypyridine
CID 84499
5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy)-pyridine
CID 11666852
6-(2,2,2-Trifluoroethoxy)nicotinamide
CID 2727208
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169

Frequently Asked Questions

What is the IUPAC name of [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (CID 16789486) is [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is NCc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The InChIKey is ZZQBFHLZCABDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-2-1-6(3-12)4-13-7/h1-2,4H,3,5,12H2.
What are the key properties of [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine has a molecular weight of 206.17 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 16789486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).