ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine

C16H15FN2O3S2 — CID 143171687

IUPACethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
SMILESCC.CSc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1
InChIInChI=1S/C14H9FN2O3S2.C2H6/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;1-2/h2-7H,1H3;1-2H3
InChIKeyWYANMTFFWRHSSM-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.88
Rot. Bonds4

About ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine

ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine (PubChem CID 143171687) has the molecular formula C16H15FN2O3S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine.

Molecular Properties

Compound Nameethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
PubChem CID143171687
Molecular FormulaC16H15FN2O3S2
Molecular Weight366.44 g/mol
Exact Mass366.05
IUPAC Nameethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
SMILESCC.CSc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1
InChIInChI=1S/C14H9FN2O3S2.C2H6/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;1-2/h2-7H,1H3;1-2H3
InChIKeyWYANMTFFWRHSSM-UHFFFAOYSA-N
XLogP5.88
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.88
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)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
2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
CID 69341594
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619
7-(2-fluoro-4-nitrophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790384
[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 59424552
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanyl-2,3-dihydrothieno[3,2-b]pyridine
CID 89033138
2-[3,4-bis(3-chloropropoxy)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 66649121
N-[[6-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methylsulfanylethanamine
CID 67443017
tert-butyl 4-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 59457665

Frequently Asked Questions

What is the IUPAC name of ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine?
The IUPAC name of ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine (CID 143171687) is ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine.
What is the SMILES notation for ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine?
The canonical SMILES for ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine is CC.CSc1cc2nccc(Oc3ccc([N+](=O)[O-])cc3F)c2s1.
What is the InChIKey of ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine?
The InChIKey is WYANMTFFWRHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3S2.C2H6/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;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine?
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine has a molecular weight of 366.44 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine is sourced from PubChem (CID 143171687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).