[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol

C8H6F3N5O — CID 66654834

IUPAC[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol
SMILESOCc1nnnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3N5O/c9-8(10,11)5-1-2-6(12-3-5)16-7(4-17)13-14-15-16/h1-3,17H,4H2
InChIKeyZLCHJZQFXSIIMJ-UHFFFAOYSA-N
MW245.16 g/mol
LogP0.57
Rot. Bonds2

About [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol

[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol (PubChem CID 66654834) has the molecular formula C8H6F3N5O and a molecular weight of 245.16 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol
PubChem CID66654834
Molecular FormulaC8H6F3N5O
Molecular Weight245.16 g/mol
Exact Mass245.05
IUPAC Name[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol
SMILESOCc1nnnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H6F3N5O/c9-8(10,11)5-1-2-6(12-3-5)16-7(4-17)13-14-15-16/h1-3,17H,4H2
InChIKeyZLCHJZQFXSIIMJ-UHFFFAOYSA-N
XLogP0.57
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2,4-Triazol-1-yl)-3-(trifluoromethyl)pyridine
CID 2744602
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
2-(3-pyridin-4-yl-4H-1,2,4-triazol-4-yl)butan-1-ol
CID 3235743
2-[5-[2-[4-(Trifluoromethyl)anilino]pyridin-3-yl]tetrazol-2-yl]ethanol
CID 135371546
2-(1,2,4-Triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 2744601
6-(Trifluoromethyl)tetrazolo[1,5-a]pyridine
CID 2332146
2-(5-Phenyl-tetrazol-1-yl)-pyridine
CID 229510
[3-[2-(ethylamino)-4-pyridinyl]-1H-1,2,4-triazol-5-yl]methanol
CID 13500896
5-Methyl-2-(tetrazol-1-yl)pyridine
CID 703024
1-(7-Methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 322251
2-{Methyl[5-(trifluoromethyl)-2-pyridinyl]amino}ethanol
CID 2991563
2-{[4-(3-Amino-1H-1,2,4-triazol-5-yl)pyridin-2-yl]amino}ethan-1-ol
CID 12889420

Frequently Asked Questions

What is the IUPAC name of [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol?
The IUPAC name of [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol (CID 66654834) is [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol.
What is the SMILES notation for [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol?
The canonical SMILES for [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol is OCc1nnnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol?
The InChIKey is ZLCHJZQFXSIIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O/c9-8(10,11)5-1-2-6(12-3-5)16-7(4-17)13-14-15-16/h1-3,17H,4H2.
What are the key properties of [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol?
[1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol has a molecular weight of 245.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-5-yl]methanol is sourced from PubChem (CID 66654834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).