2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol

C15H11FN2O4S — CID 69341594

IUPAC2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
SMILESO=[N+]([O-])c1ccc(Oc2ccnc3cc(CCO)sc23)c(F)c1
InChIInChI=1S/C15H11FN2O4S/c16-11-7-9(18(20)21)1-2-13(11)22-14-3-5-17-12-8-10(4-6-19)23-15(12)14/h1-3,5,7-8,19H,4,6H2
InChIKeyXYYLCRMZIQOVBD-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.67
Rot. Bonds5

About 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol

2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol (PubChem CID 69341594) has the molecular formula C15H11FN2O4S and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
PubChem CID69341594
Molecular FormulaC15H11FN2O4S
Molecular Weight334.33 g/mol
Exact Mass334.04
IUPAC Name2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
SMILESO=[N+]([O-])c1ccc(Oc2ccnc3cc(CCO)sc23)c(F)c1
InChIInChI=1S/C15H11FN2O4S/c16-11-7-9(18(20)21)1-2-13(11)22-14-3-5-17-12-8-10(4-6-19)23-15(12)14/h1-3,5,7-8,19H,4,6H2
InChIKeyXYYLCRMZIQOVBD-UHFFFAOYSA-N
XLogP3.67
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.67
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

CID 89281854
CID 89281854
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
7-(2-fluoro-4-nitrophenoxy)-N,N',N'-trimethylthieno[3,2-b]pyridine-2-carbohydrazide
CID 58790384
2-[3,4-bis(3-chloropropoxy)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 66649121
[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 59424552
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619
2-[4-(chloromethyl)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;hexan-2-one
CID 123568430
(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
N-[[3-fluoro-4-[2-(2-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
CID 87765837
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol?
The IUPAC name of 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol (CID 69341594) is 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol is O=[N+]([O-])c1ccc(Oc2ccnc3cc(CCO)sc23)c(F)c1.
What is the InChIKey of 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol?
The InChIKey is XYYLCRMZIQOVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S/c16-11-7-9(18(20)21)1-2-13(11)22-14-3-5-17-12-8-10(4-6-19)23-15(12)14/h1-3,5,7-8,19H,4,6H2.
What are the key properties of 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol?
2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol has a molecular weight of 334.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 69341594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).