3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium

C7H3F3N2O5Re — CID 169126136

IUPAC3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium
SMILESO=C(O)c1[nH]c(=O)c(C(F)(F)F)cc1[N+](=O)[O-].[Re]
InChIInChI=1S/C7H3F3N2O5.Re/c8-7(9,10)2-1-3(12(16)17)4(6(14)15)11-5(2)13;/h1H,(H,11,13)(H,14,15);
InChIKeyGSTIGFXZNGMJJE-UHFFFAOYSA-N
MW438.31 g/mol
LogP1.00
Rot. Bonds2

About 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium

3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium (PubChem CID 169126136) has the molecular formula C7H3F3N2O5Re and a molecular weight of 438.31 g/mol. Its IUPAC name is 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium.

Molecular Properties

Compound Name3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium
PubChem CID169126136
Molecular FormulaC7H3F3N2O5Re
Molecular Weight438.31 g/mol
Exact Mass438.96
IUPAC Name3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium
SMILESO=C(O)c1[nH]c(=O)c(C(F)(F)F)cc1[N+](=O)[O-].[Re]
InChIInChI=1S/C7H3F3N2O5.Re/c8-7(9,10)2-1-3(12(16)17)4(6(14)15)11-5(2)13;/h1H,(H,11,13)(H,14,15);
InChIKeyGSTIGFXZNGMJJE-UHFFFAOYSA-N
XLogP1.00
TPSA113.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
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-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbohydrazide
CID 175456068
4-chloro-3-nitro-5-(trifluoromethyl)benzoic acid
CID 22137841
2-chloro-5-nitro-4-(trifluoromethyl)benzoic acid
CID 178201491
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
3-nitro-5-prop-2-enyl-1H-pyrrole-2-carboxylic acid
CID 68572322
2-[3-nitro-4-(trifluoromethyl)phenyl]acetic acid
CID 70701202
azane;4-nitro-3-(trifluoromethyl)phenol
CID 171929211
4-nitro-2,5-bis(trifluoromethyl)aniline
CID 121234795
5-iodo-2-nitro-4-(trifluoromethyl)benzoyl chloride
CID 171018277
1-[5-iodo-2-nitro-4-(trifluoromethyl)phenyl]ethanone
CID 171018023
2-nitro-4-(trifluoromethyl)benzoic acid
CID 642096
[4-[4-nitro-3-(trifluoromethyl)benzoyl]phenyl]-[4-nitro-3-(trifluoromethyl)phenyl]methanone
CID 86190573

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium?
The IUPAC name of 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium (CID 169126136) is 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium.
What is the SMILES notation for 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium?
The canonical SMILES for 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium is O=C(O)c1[nH]c(=O)c(C(F)(F)F)cc1[N+](=O)[O-].[Re].
What is the InChIKey of 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium?
The InChIKey is GSTIGFXZNGMJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O5.Re/c8-7(9,10)2-1-3(12(16)17)4(6(14)15)11-5(2)13;/h1H,(H,11,13)(H,14,15);.
What are the key properties of 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium?
3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium has a molecular weight of 438.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid;rhenium is sourced from PubChem (CID 169126136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).