7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid

C14H7FN2O5S — CID 59424536

IUPAC7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1
InChIInChI=1S/C14H7FN2O5S/c15-8-5-7(17(20)21)1-2-10(8)22-11-3-4-16-9-6-12(14(18)19)23-13(9)11/h1-6H,(H,18,19)
InChIKeyYJWLZQUFCCNKKY-UHFFFAOYSA-N
MW334.28 g/mol
LogP3.83
Rot. Bonds4

About 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid

7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 59424536) has the molecular formula C14H7FN2O5S and a molecular weight of 334.28 g/mol. Its IUPAC name is 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID59424536
Molecular FormulaC14H7FN2O5S
Molecular Weight334.28 g/mol
Exact Mass334.01
IUPAC Name7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1
InChIInChI=1S/C14H7FN2O5S/c15-8-5-7(17(20)21)1-2-10(8)22-11-3-4-16-9-6-12(14(18)19)23-13(9)11/h1-6H,(H,18,19)
InChIKeyYJWLZQUFCCNKKY-UHFFFAOYSA-N
XLogP3.83
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 59424552
7-(2-fluoro-4-nitrophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790384
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
CID 89281854
CID 89281854
2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
CID 69341594
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619
(1Z,3E)-4-(1,3-dioxolan-2-yl)-1-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]hexa-1,3,5-trien-1-amine
CID 89202522
tert-butyl 4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59457665
2-[3,4-bis(3-chloropropoxy)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 66649121
2-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
2-[4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]pyrazol-1-yl]ethyl-methylcarbamic acid
CID 68693816

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid (CID 59424536) is 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid is O=C(O)c1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1.
What is the InChIKey of 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is YJWLZQUFCCNKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FN2O5S/c15-8-5-7(17(20)21)1-2-10(8)22-11-3-4-16-9-6-12(14(18)19)23-13(9)11/h1-6H,(H,18,19).
What are the key properties of 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid?
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 334.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 59424536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).