5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol

C7H3F5N2O3 — CID 133102771

IUPAC5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol
SMILESO=[N+]([O-])c1c(C(F)F)cnc(C(F)(F)F)c1O
InChIInChI=1S/C7H3F5N2O3/c8-6(9)2-1-13-5(7(10,11)12)4(15)3(2)14(16)17/h1,6,15H
InChIKeyRDBNZDBTGOYFEU-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.65
Rot. Bonds2

About 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol

5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol (PubChem CID 133102771) has the molecular formula C7H3F5N2O3 and a molecular weight of 258.10 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol
PubChem CID133102771
Molecular FormulaC7H3F5N2O3
Molecular Weight258.10 g/mol
Exact Mass258.01
IUPAC Name5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol
SMILESO=[N+]([O-])c1c(C(F)F)cnc(C(F)(F)F)c1O
InChIInChI=1S/C7H3F5N2O3/c8-6(9)2-1-13-5(7(10,11)12)4(15)3(2)14(16)17/h1,6,15H
InChIKeyRDBNZDBTGOYFEU-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

5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)pyridin-2-amine
CID 119000759
5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130085432
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134685339
5-chloro-4-(difluoromethyl)-3-nitro-2-(trifluoromethyl)pyridine
CID 134669618
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675290
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
2-chloro-4-(difluoromethyl)-3-nitro-6-(trifluoromethyl)pyridine
CID 118993647
2-chloro-3-(difluoromethyl)-4-nitro-5-(trifluoromethyl)pyridine
CID 119004595
2-chloro-4-(difluoromethyl)-3-nitro-5-(trifluoromethyl)pyridine
CID 119009197

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol (CID 133102771) is 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol is O=[N+]([O-])c1c(C(F)F)cnc(C(F)(F)F)c1O.
What is the InChIKey of 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol?
The InChIKey is RDBNZDBTGOYFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O3/c8-6(9)2-1-13-5(7(10,11)12)4(15)3(2)14(16)17/h1,6,15H.
What are the key properties of 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol?
5-(difluoromethyl)-4-nitro-2-(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 5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 133102771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).