5-nitro-4-(trifluoromethyl)pyridin-3-ol

C6H3F3N2O3 — CID 131052344

IUPAC5-nitro-4-(trifluoromethyl)pyridin-3-ol
SMILESO=[N+]([O-])c1cncc(O)c1C(F)(F)F
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)5-3(11(13)14)1-10-2-4(5)12/h1-2,12H
InChIKeyNPVOGVREDASBET-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.71
Rot. Bonds1

About 5-nitro-4-(trifluoromethyl)pyridin-3-ol

5-nitro-4-(trifluoromethyl)pyridin-3-ol (PubChem CID 131052344) has the molecular formula C6H3F3N2O3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 5-nitro-4-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-nitro-4-(trifluoromethyl)pyridin-3-ol
PubChem CID131052344
Molecular FormulaC6H3F3N2O3
Molecular Weight208.09 g/mol
Exact Mass208.01
IUPAC Name5-nitro-4-(trifluoromethyl)pyridin-3-ol
SMILESO=[N+]([O-])c1cncc(O)c1C(F)(F)F
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)5-3(11(13)14)1-10-2-4(5)12/h1-2,12H
InChIKeyNPVOGVREDASBET-UHFFFAOYSA-N
XLogP1.71
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-nitro-4-(trifluoromethyl)pyridin-3-ol 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

4-methyl-5-nitropyridin-3-ol
CID 131057783
4-fluoro-3-nitro-5-(trifluoromethyl)pyridine
CID 130927202
3-hydroxy-5-nitropyridine-4-carboxylic acid
CID 131167695
3-nitro-5-(trifluoromethyl)pyridin-4-amine
CID 118811335
5-hydroxy-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 130822545
2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
CID 134668880
2-bromo-5-nitro-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 119006904
3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
CID 133099445
4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 134661128
7-nitro-8-(trifluoromethyl)isoquinoline
CID 21393838
2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-4-carboxamide
CID 118854512
4-[4-hydroxy-3-nitro-5-(trifluoromethyl)phenyl]-2-nitro-6-(trifluoromethyl)phenol
CID 141042032

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 5-nitro-4-(trifluoromethyl)pyridin-3-ol (CID 131052344) is 5-nitro-4-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 5-nitro-4-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 5-nitro-4-(trifluoromethyl)pyridin-3-ol is O=[N+]([O-])c1cncc(O)c1C(F)(F)F.
What is the InChIKey of 5-nitro-4-(trifluoromethyl)pyridin-3-ol?
The InChIKey is NPVOGVREDASBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O3/c7-6(8,9)5-3(11(13)14)1-10-2-4(5)12/h1-2,12H.
What are the key properties of 5-nitro-4-(trifluoromethyl)pyridin-3-ol?
5-nitro-4-(trifluoromethyl)pyridin-3-ol has a molecular weight of 208.09 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 131052344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).