[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol

C15H13F2N5O2 — CID 167772572

IUPAC[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)c1cn(Cc2cccc(OC(F)F)n2)nn1
InChIInChI=1S/C15H13F2N5O2/c16-15(17)24-13-6-3-4-10(19-13)8-22-9-12(20-21-22)14(23)11-5-1-2-7-18-11/h1-7,9,14-15,23H,8H2
InChIKeyREHPXKVPQAVGAA-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.80
Rot. Bonds6

About [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol

[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol (PubChem CID 167772572) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol
PubChem CID167772572
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol
SMILESOC(c1ccccn1)c1cn(Cc2cccc(OC(F)F)n2)nn1
InChIInChI=1S/C15H13F2N5O2/c16-15(17)24-13-6-3-4-10(19-13)8-22-9-12(20-21-22)14(23)11-5-1-2-7-18-11/h1-7,9,14-15,23H,8H2
InChIKeyREHPXKVPQAVGAA-UHFFFAOYSA-N
XLogP1.80
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol (CID 167772572) is [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol is OC(c1ccccn1)c1cn(Cc2cccc(OC(F)F)n2)nn1.
What is the InChIKey of [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol?
The InChIKey is REHPXKVPQAVGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c16-15(17)24-13-6-3-4-10(19-13)8-22-9-12(20-21-22)14(23)11-5-1-2-7-18-11/h1-7,9,14-15,23H,8H2.
What are the key properties of [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol?
[1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol has a molecular weight of 333.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(difluoromethoxy)-2-pyridinyl]methyl]triazol-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 167772572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).