6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid

C12H7FN2O5 — CID 62369990

IUPAC6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])nc1
InChIInChI=1S/C12H7FN2O5/c13-8-2-3-10(9(5-8)15(18)19)20-11-4-1-7(6-14-11)12(16)17/h1-6H,(H,16,17)
InChIKeyARBAMQHETPGGAE-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.62
Rot. Bonds4

About 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid

6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid (PubChem CID 62369990) has the molecular formula C12H7FN2O5 and a molecular weight of 278.19 g/mol. Its IUPAC name is 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
PubChem CID62369990
Molecular FormulaC12H7FN2O5
Molecular Weight278.19 g/mol
Exact Mass278.03
IUPAC Name6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])nc1
InChIInChI=1S/C12H7FN2O5/c13-8-2-3-10(9(5-8)15(18)19)20-11-4-1-7(6-14-11)12(16)17/h1-6H,(H,16,17)
InChIKeyARBAMQHETPGGAE-UHFFFAOYSA-N
XLogP2.62
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.62
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

6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
5-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 63850359
4-(2-chloro-4-fluorophenoxy)-3-nitrobenzoic acid
CID 45444223
4-[(4-fluorophenyl)methoxy]-3-nitrobenzoic acid
CID 18914208
6-(2,4-dimethyl-6-nitrophenoxy)pyridine-3-carboxylic acid
CID 62098338
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
4-fluoro-2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107016475
1-[3-fluoro-4-(4-fluoro-2-nitrophenoxy)phenyl]ethanone
CID 62368694
5-bromo-2-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629521
[4-(4-fluoro-2-nitrophenoxy)-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133301498
2-fluoro-4-(4-fluoro-2-nitrophenoxy)benzoic acid
CID 104629670

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid (CID 62369990) is 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid is O=C(O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])nc1.
What is the InChIKey of 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid?
The InChIKey is ARBAMQHETPGGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O5/c13-8-2-3-10(9(5-8)15(18)19)20-11-4-1-7(6-14-11)12(16)17/h1-6H,(H,16,17).
What are the key properties of 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid?
6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid has a molecular weight of 278.19 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 62369990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).