5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol

C7H5F3N2O4 — CID 130111832

IUPAC5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
SMILESCc1cnc(OC(F)(F)F)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N2O4/c1-3-2-11-6(16-7(8,9)10)5(13)4(3)12(14)15/h2,13H,1H3
InChIKeyLMJSQYBUSXNOJD-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.90
Rot. Bonds2

About 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol

5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130111832) has the molecular formula C7H5F3N2O4 and a molecular weight of 238.12 g/mol. Its IUPAC name is 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
PubChem CID130111832
Molecular FormulaC7H5F3N2O4
Molecular Weight238.12 g/mol
Exact Mass238.02
IUPAC Name5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
SMILESCc1cnc(OC(F)(F)F)c(O)c1[N+](=O)[O-]
InChIInChI=1S/C7H5F3N2O4/c1-3-2-11-6(16-7(8,9)10)5(13)4(3)12(14)15/h2,13H,1H3
InChIKeyLMJSQYBUSXNOJD-UHFFFAOYSA-N
XLogP1.90
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-5-methyl-4-nitro-2-(trifluoromethoxy)pyridine
CID 134662232
2-[5-hydroxy-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134681179
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134682378
[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134676231
4-methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111828
6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 130111846
methyl 2-[4-methyl-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668887
ethyl 2-[5-hydroxy-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134666685
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111847

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol (CID 130111832) is 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol is Cc1cnc(OC(F)(F)F)c(O)c1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is LMJSQYBUSXNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O4/c1-3-2-11-6(16-7(8,9)10)5(13)4(3)12(14)15/h2,13H,1H3.
What are the key properties of 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol?
5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 238.12 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130111832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).