methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate

C8H5F3N2O6 — CID 134667582

IUPACmethyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)c([N+](=O)[O-])cc1O
InChIInChI=1S/C8H5F3N2O6/c1-18-7(15)5-4(14)2-3(13(16)17)6(12-5)19-8(9,10)11/h2,14H,1H3
InChIKeyCDHREGQGRLYZNH-UHFFFAOYSA-N
MW282.13 g/mol
LogP1.38
Rot. Bonds3

About methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate

methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134667582) has the molecular formula C8H5F3N2O6 and a molecular weight of 282.13 g/mol. Its IUPAC name is methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134667582
Molecular FormulaC8H5F3N2O6
Molecular Weight282.13 g/mol
Exact Mass282.01
IUPAC Namemethyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)c([N+](=O)[O-])cc1O
InChIInChI=1S/C8H5F3N2O6/c1-18-7(15)5-4(14)2-3(13(16)17)6(12-5)19-8(9,10)11/h2,14H,1H3
InChIKeyCDHREGQGRLYZNH-UHFFFAOYSA-N
XLogP1.38
TPSA111.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-iodo-5-nitro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664737
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134664936
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111847
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420
2-iodo-5-nitro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679777
ethyl 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663365
6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134670303
methyl 3-nitro-4-[2-(trifluoromethoxy)phenyl]benzoate
CID 134634430
methyl 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682718
methyl 3-fluoro-5-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677279
2-[2-methoxy-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666404

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate (CID 134667582) is methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1nc(OC(F)(F)F)c([N+](=O)[O-])cc1O.
What is the InChIKey of methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is CDHREGQGRLYZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O6/c1-18-7(15)5-4(14)2-3(13(16)17)6(12-5)19-8(9,10)11/h2,14H,1H3.
What are the key properties of methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 282.13 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134667582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).