3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid

C12H6F2N2O5 — CID 105380022

IUPAC3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2cc(F)ccc2[N+](=O)[O-])c1F
InChIInChI=1S/C12H6F2N2O5/c13-6-1-2-8(16(19)20)9(5-6)21-11-10(14)7(12(17)18)3-4-15-11/h1-5H,(H,17,18)
InChIKeyNAZPNTQSQONKAD-UHFFFAOYSA-N
MW296.19 g/mol
LogP2.76
Rot. Bonds4

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

3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid (PubChem CID 105380022) has the molecular formula C12H6F2N2O5 and a molecular weight of 296.19 g/mol. Its IUPAC name is 3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
PubChem CID105380022
Molecular FormulaC12H6F2N2O5
Molecular Weight296.19 g/mol
Exact Mass296.02
IUPAC Name3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2cc(F)ccc2[N+](=O)[O-])c1F
InChIInChI=1S/C12H6F2N2O5/c13-6-1-2-8(16(19)20)9(5-6)21-11-10(14)7(12(17)18)3-4-15-11/h1-5H,(H,17,18)
InChIKeyNAZPNTQSQONKAD-UHFFFAOYSA-N
XLogP2.76
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 52.76
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

3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380037
3-fluoro-2-(3-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380025
2-(5-fluoro-2-nitrophenoxy)pyridin-3-amine
CID 114051796
2-(5-chloro-2-nitrophenoxy)-4-fluorobenzoic acid
CID 107016662
4-fluoro-2-(2-nitrophenoxy)benzoic acid
CID 107016486
1-[2-(5-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 60726170
4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475
5-(5-fluoro-2-nitrophenoxy)furan-2-carboxylic acid
CID 55049940
6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458082
3-[(5-fluoro-2-nitrophenyl)methoxy]pyridine-4-carboxylic acid
CID 81438798
2-fluoro-3-methyl-4-nitrobenzoic acid
CID 122405032

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid (CID 105380022) is 3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2cc(F)ccc2[N+](=O)[O-])c1F.
What is the InChIKey of 3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid?
The InChIKey is NAZPNTQSQONKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O5/c13-6-1-2-8(16(19)20)9(5-6)21-11-10(14)7(12(17)18)3-4-15-11/h1-5H,(H,17,18).
What are the key properties of 3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid?
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid has a molecular weight of 296.19 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 105380022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).