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

C7H5F3N2O4 — CID 130111847

IUPAC6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
SMILESCc1cc([N+](=O)[O-])c(O)c(OC(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O4/c1-3-2-4(12(14)15)5(13)6(11-3)16-7(8,9)10/h2,13H,1H3
InChIKeyIDCIXNUSCPXOGP-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.90
Rot. Bonds2

About 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol

6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130111847) has the molecular formula C7H5F3N2O4 and a molecular weight of 238.12 g/mol. Its IUPAC name is 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
PubChem CID130111847
Molecular FormulaC7H5F3N2O4
Molecular Weight238.12 g/mol
Exact Mass238.02
IUPAC Name6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
SMILESCc1cc([N+](=O)[O-])c(O)c(OC(F)(F)F)n1
InChIInChI=1S/C7H5F3N2O4/c1-3-2-4(12(14)15)5(13)6(11-3)16-7(8,9)10/h2,13H,1H3
InChIKeyIDCIXNUSCPXOGP-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

4-methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111828
4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446
ethyl 2-[6-methyl-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134672629
2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
CID 118826412
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134667582
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420
5-methyl-4-nitro-6-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134671418
5-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111832
2-hydroxy-3-nitro-5-(trifluoromethoxy)benzaldehyde
CID 139023987
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134664936
[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678877

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol (CID 130111847) is 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol is Cc1cc([N+](=O)[O-])c(O)c(OC(F)(F)F)n1.
What is the InChIKey of 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is IDCIXNUSCPXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O4/c1-3-2-4(12(14)15)5(13)6(11-3)16-7(8,9)10/h2,13H,1H3.
What are the key properties of 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol?
6-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 6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130111847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).