[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol

C8H5F5N2O4 — CID 134678877

IUPAC[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(C(F)F)c(OC(F)(F)F)nc1CO
InChIInChI=1S/C8H5F5N2O4/c9-6(10)3-1-5(15(17)18)4(2-16)14-7(3)19-8(11,12)13/h1,6,16H,2H2
InChIKeyCCUZSTHKXWOXNY-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.32
Rot. Bonds4

About [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol

[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 134678877) has the molecular formula C8H5F5N2O4 and a molecular weight of 288.13 g/mol. Its IUPAC name is [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID134678877
Molecular FormulaC8H5F5N2O4
Molecular Weight288.13 g/mol
Exact Mass288.02
IUPAC Name[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESO=[N+]([O-])c1cc(C(F)F)c(OC(F)(F)F)nc1CO
InChIInChI=1S/C8H5F5N2O4/c9-6(10)3-1-5(15(17)18)4(2-16)14-7(3)19-8(11,12)13/h1,6,16H,2H2
InChIKeyCCUZSTHKXWOXNY-UHFFFAOYSA-N
XLogP2.32
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134682904
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
5-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 134660021
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479
[6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803451
4-(difluoromethyl)-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805923
ethyl 5-iodo-3-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134663365
6-methyl-4-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111847
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol (CID 134678877) is [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol is O=[N+]([O-])c1cc(C(F)F)c(OC(F)(F)F)nc1CO.
What is the InChIKey of [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is CCUZSTHKXWOXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O4/c9-6(10)3-1-5(15(17)18)4(2-16)14-7(3)19-8(11,12)13/h1,6,16H,2H2.
What are the key properties of [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol?
[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 288.13 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 134678877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).