2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol

C7H3F5N2O3 — CID 133102745

IUPAC2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
SMILESO=[N+]([O-])c1nc(C(F)F)c(O)cc1C(F)(F)F
InChIInChI=1S/C7H3F5N2O3/c8-5(9)4-3(15)1-2(7(10,11)12)6(13-4)14(16)17/h1,5,15H
InChIKeyMNLDDVPHVZSZDO-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.65
Rot. Bonds2

About 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol

2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 133102745) has the molecular formula C7H3F5N2O3 and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
PubChem CID133102745
Molecular FormulaC7H3F5N2O3
Molecular Weight258.10 g/mol
Exact Mass258.01
IUPAC Name2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
SMILESO=[N+]([O-])c1nc(C(F)F)c(O)cc1C(F)(F)F
InChIInChI=1S/C7H3F5N2O3/c8-5(9)4-3(15)1-2(7(10,11)12)6(13-4)14(16)17/h1,5,15H
InChIKeyMNLDDVPHVZSZDO-UHFFFAOYSA-N
XLogP2.65
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.65
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-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
CID 133101197
2-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridin-3-ol
CID 118825956
5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
CID 130110130
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
CID 118826321
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 118831634
6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)pyridin-3-ol
CID 133106260
4-(difluoromethyl)-6-fluoro-2-nitropyridin-3-ol
CID 118852034
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
[6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803451
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol (CID 133102745) is 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol is O=[N+]([O-])c1nc(C(F)F)c(O)cc1C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is MNLDDVPHVZSZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O3/c8-5(9)4-3(15)1-2(7(10,11)12)6(13-4)14(16)17/h1,5,15H.
What are the key properties of 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol?
2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 258.10 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 133102745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).