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

C9H8F3N5O — CID 71170871

IUPAC[3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol
SMILESCc1cc(-n2nnnc2C(F)(F)F)cnc1CO
InChIInChI=1S/C9H8F3N5O/c1-5-2-6(3-13-7(5)4-18)17-8(9(10,11)12)14-15-16-17/h2-3,18H,4H2,1H3
InChIKeyBZXXTMOEKFXVHR-UHFFFAOYSA-N
MW259.19 g/mol
LogP0.88
Rot. Bonds2

About [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol

[3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol (PubChem CID 71170871) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol
PubChem CID71170871
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name[3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol
SMILESCc1cc(-n2nnnc2C(F)(F)F)cnc1CO
InChIInChI=1S/C9H8F3N5O/c1-5-2-6(3-13-7(5)4-18)17-8(9(10,11)12)14-15-16-17/h2-3,18H,4H2,1H3
InChIKeyBZXXTMOEKFXVHR-UHFFFAOYSA-N
XLogP0.88
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]methanol
CID 13500900
1,1-Difluoro-3-(tetrazol-1-yl)-1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol
CID 71145332
1,3-Difluoro-1-(tetrazol-1-yl)-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]propan-2-ol
CID 71145336
(1-Methyl-1H-1,2,3-triazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
CID 118006037
(1,2-dimethyl-1H-imidazol-5-yl)(2-(trifluoromethyl)pyridin-4-yl)methanol
CID 118022816
(7-(Trifluoromethyl)imidazo[1,5-a]pyridin-5-yl)methanol
CID 122609613
[3-(Trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methanol
CID 124182588
(3-Methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 141451735
[3-[5-(Difluoromethyl)-2-pyridinyl]-5-methyltriazol-4-yl]methanol
CID 162785935
[4-(2-tert-butyl-1H-imidazol-5-yl)-3-fluoro-2-pyridinyl]methanol
CID 170220645
[5-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]-2-pyridinyl]methanol
CID 170707629
[2-Fluoro-6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methanol
CID 172583950

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol (CID 71170871) is [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol is Cc1cc(-n2nnnc2C(F)(F)F)cnc1CO.
What is the InChIKey of [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is BZXXTMOEKFXVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c1-5-2-6(3-13-7(5)4-18)17-8(9(10,11)12)14-15-16-17/h2-3,18H,4H2,1H3.
What are the key properties of [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol?
[3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 259.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[5-(trifluoromethyl)tetrazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 71170871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).