2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol

C10H9F3N4O — CID 71294083

IUPAC2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol
SMILESCn1ncc(-c2ccc(C(O)C(F)(F)F)cn2)n1
InChIInChI=1S/C10H9F3N4O/c1-17-15-5-8(16-17)7-3-2-6(4-14-7)9(18)10(11,12)13/h2-5,9,18H,1H3
InChIKeyOHWGRBIUKLIFBN-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.47
Rot. Bonds2

About 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol

2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol (PubChem CID 71294083) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol
PubChem CID71294083
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol
SMILESCn1ncc(-c2ccc(C(O)C(F)(F)F)cn2)n1
InChIInChI=1S/C10H9F3N4O/c1-17-15-5-8(16-17)7-3-2-6(4-14-7)9(18)10(11,12)13/h2-5,9,18H,1H3
InChIKeyOHWGRBIUKLIFBN-UHFFFAOYSA-N
XLogP1.47
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol (CID 71294083) is 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol is Cn1ncc(-c2ccc(C(O)C(F)(F)F)cn2)n1.
What is the InChIKey of 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol?
The InChIKey is OHWGRBIUKLIFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-17-15-5-8(16-17)7-3-2-6(4-14-7)9(18)10(11,12)13/h2-5,9,18H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol?
2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol has a molecular weight of 258.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[6-(2-methyltriazol-4-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 71294083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).