1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium

C8H9F3NO+ — CID 143399375

IUPAC1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium
SMILESCc1c[n+](O)c(C)cc1C(F)(F)F
InChIInChI=1S/C8H9F3NO/c1-5-4-12(13)6(2)3-7(5)8(9,10)11/h3-4,13H,1-2H3/q+1
InChIKeyGXWOZASXDOLSLH-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.85
Rot. Bonds

About 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium

1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium (PubChem CID 143399375) has the molecular formula C8H9F3NO+ and a molecular weight of 192.16 g/mol. Its IUPAC name is 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium.

Molecular Properties

Compound Name1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium
PubChem CID143399375
Molecular FormulaC8H9F3NO+
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium
SMILESCc1c[n+](O)c(C)cc1C(F)(F)F
InChIInChI=1S/C8H9F3NO/c1-5-4-12(13)6(2)3-7(5)8(9,10)11/h3-4,13H,1-2H3/q+1
InChIKeyGXWOZASXDOLSLH-UHFFFAOYSA-N
XLogP1.85
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-4-(trifluoromethyl)phenol
CID 121432589
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
CID 51000124
4-methyl-3-(trifluoromethyl)benzenethiol
CID 89041692
1-[2,4-dimethyl-5-(trifluoromethyl)phenyl]ethanone
CID 131384997
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 145326539
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
[2,5-dimethyl-4-(trifluoromethyl)phenyl] hydrogen sulfate;methanethiol
CID 173324954
[2-[difluoro(hydroxy)methyl]-4,5-dimethylphenyl]-difluoromethanol
CID 58543652
5-methyl-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 21350863
1-[4,5-dimethyl-2-(trifluoromethyl)phenyl]ethanone
CID 131384993

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium?
The IUPAC name of 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium (CID 143399375) is 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium.
What is the SMILES notation for 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium?
The canonical SMILES for 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium is Cc1c[n+](O)c(C)cc1C(F)(F)F.
What is the InChIKey of 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium?
The InChIKey is GXWOZASXDOLSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3NO/c1-5-4-12(13)6(2)3-7(5)8(9,10)11/h3-4,13H,1-2H3/q+1.
What are the key properties of 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium?
1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium has a molecular weight of 192.16 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,5-dimethyl-4-(trifluoromethyl)pyridin-1-ium is sourced from PubChem (CID 143399375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).