4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid

C7H2F4N2O5 — CID 118799511

IUPAC4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(OC(F)(F)F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H2F4N2O5/c8-3-2(18-7(9,10)11)1-12-4(6(14)15)5(3)13(16)17/h1H,(H,14,15)
InChIKeyDRQYYGKHJHVLFM-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.73
Rot. Bonds3

About 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid

4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 118799511) has the molecular formula C7H2F4N2O5 and a molecular weight of 270.09 g/mol. Its IUPAC name is 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID118799511
Molecular FormulaC7H2F4N2O5
Molecular Weight270.09 g/mol
Exact Mass269.99
IUPAC Name4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(OC(F)(F)F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C7H2F4N2O5/c8-3-2(18-7(9,10)11)1-12-4(6(14)15)5(3)13(16)17/h1H,(H,14,15)
InChIKeyDRQYYGKHJHVLFM-UHFFFAOYSA-N
XLogP1.73
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.73
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-fluoro-3-nitropyridine-2-carboxylic acid
CID 130081512
3-(chloromethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134658890
6-iodo-3-nitro-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134679606
ethyl 3-hydroxy-4-nitro-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134680855
3-iodo-4-nitro-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134681097
4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118828504
2-fluoro-3-(fluoromethyl)-4-nitro-5-(trifluoromethoxy)pyridine
CID 134664818
4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118811808
3-iodo-6-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134664731
4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
CID 134678852
2-(bromomethyl)-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134678331
6-iodo-4-nitro-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679605

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 118799511) is 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid is O=C(O)c1ncc(OC(F)(F)F)c(F)c1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is DRQYYGKHJHVLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F4N2O5/c8-3-2(18-7(9,10)11)1-12-4(6(14)15)5(3)13(16)17/h1H,(H,14,15).
What are the key properties of 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 270.09 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 118799511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).