5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride

C7H2ClF3N2O5 — CID 134666704

IUPAC5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1c(O)cnc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H2ClF3N2O5/c8-5(15)3-2(14)1-12-6(13(16)17)4(3)18-7(9,10)11/h1,14H
InChIKeyXROSSSHTZYFQQU-UHFFFAOYSA-N
MW286.55 g/mol
LogP1.97
Rot. Bonds3

About 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride

5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride (PubChem CID 134666704) has the molecular formula C7H2ClF3N2O5 and a molecular weight of 286.55 g/mol. Its IUPAC name is 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
PubChem CID134666704
Molecular FormulaC7H2ClF3N2O5
Molecular Weight286.55 g/mol
Exact Mass285.96
IUPAC Name5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1c(O)cnc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C7H2ClF3N2O5/c8-5(15)3-2(14)1-12-6(13(16)17)4(3)18-7(9,10)11/h1,14H
InChIKeyXROSSSHTZYFQQU-UHFFFAOYSA-N
XLogP1.97
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-6-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 118829972
ethyl 2-[5-hydroxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661613
6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 130111846
methyl 5-iodo-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134666780
ethyl 2-[4-fluoro-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664857
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 134671327
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642
5-(difluoromethyl)-6-nitro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134682696
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134679652
4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
5-iodo-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134676264
ethyl 4-methoxy-6-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670205

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The IUPAC name of 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride (CID 134666704) is 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride.
What is the SMILES notation for 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The canonical SMILES for 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride is O=C(Cl)c1c(O)cnc([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The InChIKey is XROSSSHTZYFQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2O5/c8-5(15)3-2(14)1-12-6(13(16)17)4(3)18-7(9,10)11/h1,14H.
What are the key properties of 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride?
5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride has a molecular weight of 286.55 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride is sourced from PubChem (CID 134666704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).