7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine

C14H11FN2O3S2 — CID 89033138

IUPAC7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine
SMILESCSC1Cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2S1
InChIInChI=1S/C14H11FN2O3S2/c1-21-13-7-10-14(22-13)12(4-5-16-10)20-11-3-2-8(17(18)19)6-9(11)15/h2-6,13H,7H2,1H3
InChIKeyCJCWKFRYZOGTDZ-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.26
Rot. Bonds4

About 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine

7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine (PubChem CID 89033138) has the molecular formula C14H11FN2O3S2 and a molecular weight of 338.39 g/mol. Its IUPAC name is 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine
PubChem CID89033138
Molecular FormulaC14H11FN2O3S2
Molecular Weight338.39 g/mol
Exact Mass338.02
IUPAC Name7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine
SMILESCSC1Cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2S1
InChIInChI=1S/C14H11FN2O3S2/c1-21-13-7-10-14(22-13)12(4-5-16-10)20-11-3-2-8(17(18)19)6-9(11)15/h2-6,13H,7H2,1H3
InChIKeyCJCWKFRYZOGTDZ-UHFFFAOYSA-N
XLogP4.26
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
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

2-bromo-7-(2-fluoro-4-nitrophenoxy)-2,3-dihydrothieno[3,2-b]pyridine
CID 89281939
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
CID 89281854
CID 89281854
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
[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
4-(2-fluoro-4-nitrophenoxy)-1-methylpyrazolo[3,4-b]pyridine
CID 68515325
2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
CID 69341594
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-(2-fluoro-4-nitrophenoxy)-3-iodopyridine
CID 59852937

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine?
The IUPAC name of 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine (CID 89033138) is 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine.
What is the SMILES notation for 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine?
The canonical SMILES for 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine is CSC1Cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2S1.
What is the InChIKey of 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine?
The InChIKey is CJCWKFRYZOGTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S2/c1-21-13-7-10-14(22-13)12(4-5-16-10)20-11-3-2-8(17(18)19)6-9(11)15/h2-6,13H,7H2,1H3.
What are the key properties of 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine?
7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine has a molecular weight of 338.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine is sourced from PubChem (CID 89033138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).