3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol

C9H12F3N3O2 — CID 102718825

IUPAC3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
SMILESNc1cc(C(F)(F)F)cc(NCC(O)CO)n1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)5-1-7(13)15-8(2-5)14-3-6(17)4-16/h1-2,6,16-17H,3-4H2,(H3,13,14,15)
InChIKeyBMOFIUSBCRIJKT-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.45
Rot. Bonds4

About 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol

3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol (PubChem CID 102718825) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
PubChem CID102718825
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
SMILESNc1cc(C(F)(F)F)cc(NCC(O)CO)n1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)5-1-7(13)15-8(2-5)14-3-6(17)4-16/h1-2,6,16-17H,3-4H2,(H3,13,14,15)
InChIKeyBMOFIUSBCRIJKT-UHFFFAOYSA-N
XLogP0.45
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
CID 102718731
3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,2-diol
CID 106772397
6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719029
(2S)-3-[3-bromo-5-(trifluoromethyl)anilino]propane-1,2-diol
CID 65490427
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypropan-2-ol
CID 102720773
1-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102719358
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 102718737
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107154974
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
The IUPAC name of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol (CID 102718825) is 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol is Nc1cc(C(F)(F)F)cc(NCC(O)CO)n1.
What is the InChIKey of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
The InChIKey is BMOFIUSBCRIJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)5-1-7(13)15-8(2-5)14-3-6(17)4-16/h1-2,6,16-17H,3-4H2,(H3,13,14,15).
What are the key properties of 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol?
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol has a molecular weight of 251.21 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol is sourced from PubChem (CID 102718825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).