6-nitro-2-(trifluoromethyl)pyridin-3-ol

C6H3F3N2O3 — CID 130838654

IUPAC6-nitro-2-(trifluoromethyl)pyridin-3-ol
SMILESO=[N+]([O-])c1ccc(O)c(C(F)(F)F)n1
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)5-3(12)1-2-4(10-5)11(13)14/h1-2,12H
InChIKeyOCPWFDOKFFDMQT-UHFFFAOYSA-N
MW208.09 g/mol
LogP1.71
Rot. Bonds1

About 6-nitro-2-(trifluoromethyl)pyridin-3-ol

6-nitro-2-(trifluoromethyl)pyridin-3-ol (PubChem CID 130838654) has the molecular formula C6H3F3N2O3 and a molecular weight of 208.09 g/mol. Its IUPAC name is 6-nitro-2-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-nitro-2-(trifluoromethyl)pyridin-3-ol
PubChem CID130838654
Molecular FormulaC6H3F3N2O3
Molecular Weight208.09 g/mol
Exact Mass208.01
IUPAC Name6-nitro-2-(trifluoromethyl)pyridin-3-ol
SMILESO=[N+]([O-])c1ccc(O)c(C(F)(F)F)n1
InChIInChI=1S/C6H3F3N2O3/c7-6(8,9)5-3(12)1-2-4(10-5)11(13)14/h1-2,12H
InChIKeyOCPWFDOKFFDMQT-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'}

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Related Compounds

3-Hydroxy-2-nitropyridine
CID 27057
6-Methyl-2-nitropyridin-3-ol
CID 84801
2-Amino-6-methylpyridin-3-ol
CID 88500
3-Pyridinol, 2,4,6-trinitro-
CID 2784729
6-Nitropyridin-3-ol
CID 2762857
6-Methyl-2-nitro-3-pyridyl trifluoromethanesulfonate
CID 10902193
6-Bromo-2-nitropyridin-3-ol
CID 21873808
2,6-Dinitropyridin-3-ol
CID 2784727
2-Methyl-6-nitro-3-pyridinol
CID 21766020
3-Methoxy-2-methyl-6-nitropyridine
CID 22923908
2-Amino-6-(trifluoromethyl)pyridin-3-ol
CID 21533197
2-Amino-5-fluoro-6-methylpyridin-3-ol
CID 21533200

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 6-nitro-2-(trifluoromethyl)pyridin-3-ol (CID 130838654) is 6-nitro-2-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 6-nitro-2-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 6-nitro-2-(trifluoromethyl)pyridin-3-ol is O=[N+]([O-])c1ccc(O)c(C(F)(F)F)n1.
What is the InChIKey of 6-nitro-2-(trifluoromethyl)pyridin-3-ol?
The InChIKey is OCPWFDOKFFDMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O3/c7-6(8,9)5-3(12)1-2-4(10-5)11(13)14/h1-2,12H.
What are the key properties of 6-nitro-2-(trifluoromethyl)pyridin-3-ol?
6-nitro-2-(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 6-nitro-2-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130838654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).