3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol

C10H13F3N2O2 — CID 171858349

IUPAC3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-14-5-7(16)9(17)6-3-2-4-8(15-6)10(11,12)13/h2-4,7,9,14,16-17H,5H2,1H3
InChIKeyUOVUUUDUCQESQA-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.71
Rot. Bonds4

About 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol

3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol (PubChem CID 171858349) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol
PubChem CID171858349
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-14-5-7(16)9(17)6-3-2-4-8(15-6)10(11,12)13/h2-4,7,9,14,16-17H,5H2,1H3
InChIKeyUOVUUUDUCQESQA-UHFFFAOYSA-N
XLogP0.71
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-sulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]butane-1,2-diol
CID 171874500
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858474
3-amino-2,2-difluoro-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-ol
CID 163265613
2-(cyclobutylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
CID 170592925
[6-(trifluoromethyl)-2-pyridinyl]methanediamine
CID 135243406
(1R)-2-(2,3-dihydro-1H-inden-2-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanol
CID 155154282
1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium
CID 76787438
ethane;methyl 2-[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]prop-2-enoate
CID 155716297
N-ethyl-4-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]pentan-2-amine
CID 63198163
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135
1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate
CID 174625621
1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 113228906

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol (CID 171858349) is 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol is CNCC(O)C(O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol?
The InChIKey is UOVUUUDUCQESQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-14-5-7(16)9(17)6-3-2-4-8(15-6)10(11,12)13/h2-4,7,9,14,16-17H,5H2,1H3.
What are the key properties of 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol?
3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol has a molecular weight of 250.22 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]propane-1,2-diol is sourced from PubChem (CID 171858349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).