ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine

C18H23FN2O3S — CID 143652844

IUPACethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine
SMILESCC.CC.Cc1cc2nccc(OC3=C(F)CC([N+](=O)[O-])C=C3)c2s1
InChIInChI=1S/C14H11FN2O3S.2C2H6/c1-8-6-11-14(21-8)13(4-5-16-11)20-12-3-2-9(17(18)19)7-10(12)15;2*1-2/h2-6,9H,7H2,1H3;2*1-2H3
InChIKeyKGRLDZSLSDBXLF-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.82
Rot. Bonds3

About ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine

ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine (PubChem CID 143652844) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine.

Molecular Properties

Compound Nameethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine
PubChem CID143652844
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Nameethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine
SMILESCC.CC.Cc1cc2nccc(OC3=C(F)CC([N+](=O)[O-])C=C3)c2s1
InChIInChI=1S/C14H11FN2O3S.2C2H6/c1-8-6-11-14(21-8)13(4-5-16-11)20-12-3-2-9(17(18)19)7-10(12)15;2*1-2/h2-6,9H,7H2,1H3;2*1-2H3
InChIKeyKGRLDZSLSDBXLF-UHFFFAOYSA-N
XLogP5.82
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
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

ethane;7-methoxy-2-methylthieno[3,2-b]pyridine
CID 143768764
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
1-cyclopropyl-3-[3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyphenyl]urea
CID 71286419
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
2,7-dimethylthieno[3,2-b]pyridine;ethane
CID 143768578
CID 89281854
CID 89281854
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619
1-[5-fluoro-4-[2-[6-(7-methoxyheptyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxycyclohexa-2,4-dien-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 129281257
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
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-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine?
The IUPAC name of ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine (CID 143652844) is ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine.
What is the SMILES notation for ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine?
The canonical SMILES for ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine is CC.CC.Cc1cc2nccc(OC3=C(F)CC([N+](=O)[O-])C=C3)c2s1.
What is the InChIKey of ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine?
The InChIKey is KGRLDZSLSDBXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S.2C2H6/c1-8-6-11-14(21-8)13(4-5-16-11)20-12-3-2-9(17(18)19)7-10(12)15;2*1-2/h2-6,9H,7H2,1H3;2*1-2H3.
What are the key properties of ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine?
ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine has a molecular weight of 366.46 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(2-fluoro-4-nitrocyclohexa-1,5-dien-1-yl)oxy-2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 143652844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).