2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol

C12H17F3N2O — CID 116535966

IUPAC2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol
SMILESCc1cnc(N)c(C(C)(O)CCCC(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-8-6-9(10(16)17-7-8)11(2,18)4-3-5-12(13,14)15/h6-7,18H,3-5H2,1-2H3,(H2,16,17)
InChIKeyNEMFOZXQFBPODC-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol

2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol (PubChem CID 116535966) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol
PubChem CID116535966
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol
SMILESCc1cnc(N)c(C(C)(O)CCCC(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-8-6-9(10(16)17-7-8)11(2,18)4-3-5-12(13,14)15/h6-7,18H,3-5H2,1-2H3,(H2,16,17)
InChIKeyNEMFOZXQFBPODC-UHFFFAOYSA-N
XLogP2.91
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-5-chloro-3-pyridinyl)heptan-2-ol
CID 80558572
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810
3-(4-chloro-2-methylpentan-2-yl)-5-methylpyridin-2-amine
CID 64716420
3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine
CID 155156958
5-methyl-2-(trifluoromethyl)pyridin-3-amine
CID 75488647
3-(fluoromethyl)-5-methylpyridin-2-amine
CID 135298839
6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 116535882
2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
CID 115515246
4-methyl-2-(4,4,4-trifluorobutylsulfonyl)aniline
CID 115519811
6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
7-ethyl-1,1,1-trifluoro-5-methylnonan-5-ol
CID 116535930
3-methyl-2-N-(5,5,5-trifluoropentyl)pyridine-2,5-diamine
CID 113326794

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol (CID 116535966) is 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol is Cc1cnc(N)c(C(C)(O)CCCC(F)(F)F)c1.
What is the InChIKey of 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is NEMFOZXQFBPODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8-6-9(10(16)17-7-8)11(2,18)4-3-5-12(13,14)15/h6-7,18H,3-5H2,1-2H3,(H2,16,17).
What are the key properties of 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol?
2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 262.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methyl-3-pyridinyl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 116535966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).