6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol

C7H4ClF3N2O4 — CID 118838420

IUPAC6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
SMILESO=[N+]([O-])c1cc(O)c(OC(F)(F)F)nc1CCl
InChIInChI=1S/C7H4ClF3N2O4/c8-2-3-4(13(15)16)1-5(14)6(12-3)17-7(9,10)11/h1,14H,2H2
InChIKeyYXEMWCLXKJRZSM-UHFFFAOYSA-N
MW272.57 g/mol
LogP2.33
Rot. Bonds3

About 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol

6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol (PubChem CID 118838420) has the molecular formula C7H4ClF3N2O4 and a molecular weight of 272.57 g/mol. Its IUPAC name is 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
PubChem CID118838420
Molecular FormulaC7H4ClF3N2O4
Molecular Weight272.57 g/mol
Exact Mass271.98
IUPAC Name6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
SMILESO=[N+]([O-])c1cc(O)c(OC(F)(F)F)nc1CCl
InChIInChI=1S/C7H4ClF3N2O4/c8-2-3-4(13(15)16)1-5(14)6(12-3)17-7(9,10)11/h1,14H,2H2
InChIKeyYXEMWCLXKJRZSM-UHFFFAOYSA-N
XLogP2.33
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.57
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_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

[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678877
5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
methyl 3-hydroxy-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134667582
2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine
CID 118804281
2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466
6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111847
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842
5-hydroxy-2-nitro-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 134664491
5-(chloromethyl)-6-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111282
6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
CID 134670317
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134664304
2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
CID 118809105

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol (CID 118838420) is 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol is O=[N+]([O-])c1cc(O)c(OC(F)(F)F)nc1CCl.
What is the InChIKey of 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is YXEMWCLXKJRZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O4/c8-2-3-4(13(15)16)1-5(14)6(12-3)17-7(9,10)11/h1,14H,2H2.
What are the key properties of 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol?
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 272.57 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 118838420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).