2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol

C9H11F3N2O — CID 142468391

IUPAC2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cccc(CN)n1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-8(15,9(10,11)12)7-4-2-3-6(5-13)14-7/h2-4,15H,5,13H2,1H3
InChIKeySWXFZCKRLBBDEY-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.31
Rot. Bonds2

About 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol

2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 142468391) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID142468391
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cccc(CN)n1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c1-8(15,9(10,11)12)7-4-2-3-6(5-13)14-7/h2-4,15H,5,13H2,1H3
InChIKeySWXFZCKRLBBDEY-UHFFFAOYSA-N
XLogP1.31
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(tert-butylamino)-1-[6-(trifluoromethyl)pyridin-2-yl]ethanol
CID 155154344
2-Pyridinemethanol, alpha-ethyl-alpha-methyl-
CID 106761
Hydroxymuscopyridine A
CID 184938
Hydroxymuscopyridine B
CID 184939
2-(6-Methylpyridin-2-YL)propan-2-OL
CID 20729852
(6-(Propan-2-yl)pyridin-2-yl)methanol
CID 21874757
[6-(Aminomethyl)pyridin-2-yl]methanol dihydrochloride
CID 91662916
2,2,2-Trifluoro-1-phenyl-1-(pyridine-2-yl)ethanol
CID 2760796
(6-(Aminomethyl)pyridin-2-yl)methanol
CID 21076956
alpha-Trifluoromethyl-alpha-(2-pyridyl)ethanol
CID 59149473
2,2'-(Pyridine-2,6-diyl)bis(propan-2-ol)
CID 279664
alpha,alpha-Dimethyl-2-pyridinemethanol
CID 2779146

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 142468391) is 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1cccc(CN)n1)C(F)(F)F.
What is the InChIKey of 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SWXFZCKRLBBDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-8(15,9(10,11)12)7-4-2-3-6(5-13)14-7/h2-4,15H,5,13H2,1H3.
What are the key properties of 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol?
2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 220.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-2-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 142468391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).