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

C12H7FN2O5 — CID 61038317

IUPAC2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccc([N+](=O)[O-])cc2F)c1
InChIInChI=1S/C12H7FN2O5/c13-9-6-8(15(18)19)1-2-10(9)20-11-5-7(12(16)17)3-4-14-11/h1-6H,(H,16,17)
InChIKeyBYWZQRFQKTVRBF-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.62
Rot. Bonds4

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

2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid (PubChem CID 61038317) has the molecular formula C12H7FN2O5 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
PubChem CID61038317
Molecular FormulaC12H7FN2O5
Molecular Weight278.19 g/mol
Exact Mass278.03
IUPAC Name2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2ccc([N+](=O)[O-])cc2F)c1
InChIInChI=1S/C12H7FN2O5/c13-9-6-8(15(18)19)1-2-10(9)20-11-5-7(12(16)17)3-4-14-11/h1-6H,(H,16,17)
InChIKeyBYWZQRFQKTVRBF-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

2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
CID 103009656
2-(4-bromo-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 65431452
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178
2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 60726441
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
2-fluoro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 79515985
4-fluoro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 107016673
5-chloro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61395827
tert-butyl N-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-N-methylcarbamate
CID 59852957
3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1,1-dimethylurea
CID 23153022
3-[4-(2-fluoro-4-nitrophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 66917538

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid (CID 61038317) is 2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2ccc([N+](=O)[O-])cc2F)c1.
What is the InChIKey of 2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid?
The InChIKey is BYWZQRFQKTVRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O5/c13-9-6-8(15(18)19)1-2-10(9)20-11-5-7(12(16)17)3-4-14-11/h1-6H,(H,16,17).
What are the key properties of 2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid?
2-(2-fluoro-4-nitrophenoxy)pyridine-4-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 2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 61038317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).