1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol

C9H10F3NO3 — CID 170818245

IUPAC1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1cccnc1C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)8-5(2-1-3-13-8)7(16)6(15)4-14/h1-3,6-7,14-16H,4H2
InChIKeyIUMVAHVNALHFBF-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.49
Rot. Bonds3

About 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol

1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol (PubChem CID 170818245) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol
PubChem CID170818245
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol
SMILESOCC(O)C(O)c1cccnc1C(F)(F)F
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)8-5(2-1-3-13-8)7(16)6(15)4-14/h1-3,6-7,14-16H,4H2
InChIKeyIUMVAHVNALHFBF-UHFFFAOYSA-N
XLogP0.49
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3,4-dihydroxy-4-[2-(trifluoromethyl)-3-pyridinyl]butanoate
CID 171897786
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
3-hydroxysulfanyl-2-(trifluoromethyl)pyridine
CID 164906047
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
CID 106972085
3-amino-1-(2-fluoro-3-pyridinyl)propane-1,2-diol
CID 170827543
1-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]butane-1,2,4-triol
CID 171873020
1-[2-amino-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818491
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
1-(2-nitro-3-pyridinyl)butane-1,2,4-triol
CID 171872287
3-(1,2-dihydroxy-3-sulfanylpropyl)pyridine-2-carbonitrile
CID 170819530
1-(2-chloro-3-pyridinyl)-3-sulfanylpropane-1,2-diol
CID 170819352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol?
The IUPAC name of 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol (CID 170818245) is 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol.
What is the SMILES notation for 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol?
The canonical SMILES for 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol is OCC(O)C(O)c1cccnc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol?
The InChIKey is IUMVAHVNALHFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c10-9(11,12)8-5(2-1-3-13-8)7(16)6(15)4-14/h1-3,6-7,14-16H,4H2.
What are the key properties of 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol?
1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol has a molecular weight of 237.18 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-3-pyridinyl]propane-1,2,3-triol is sourced from PubChem (CID 170818245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).