4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol

C11H15F3N2O2 — CID 171890626

IUPAC4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol
SMILESCNCCC(O)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-15-4-3-9(17)10(18)7-6-16-5-2-8(7)11(12,13)14/h2,5-6,9-10,15,17-18H,3-4H2,1H3
InChIKeyPQHKSLQOAOXLOF-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.10
Rot. Bonds5

About 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol

4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol (PubChem CID 171890626) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol.

Molecular Properties

Compound Name4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol
PubChem CID171890626
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol
SMILESCNCCC(O)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-15-4-3-9(17)10(18)7-6-16-5-2-8(7)11(12,13)14/h2,5-6,9-10,15,17-18H,3-4H2,1H3
InChIKeyPQHKSLQOAOXLOF-UHFFFAOYSA-N
XLogP1.10
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890738
3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 171878084
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
4-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]butane-1,2-diol
CID 171890180
2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 102707914
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
1-[4-amino-5-fluoro-2-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171891129
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol?
The IUPAC name of 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol (CID 171890626) is 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol.
What is the SMILES notation for 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol?
The canonical SMILES for 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol is CNCCC(O)C(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol?
The InChIKey is PQHKSLQOAOXLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-15-4-3-9(17)10(18)7-6-16-5-2-8(7)11(12,13)14/h2,5-6,9-10,15,17-18H,3-4H2,1H3.
What are the key properties of 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol?
4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol has a molecular weight of 264.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol is sourced from PubChem (CID 171890626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).