7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine

C19H12N2O3S — CID 59424420

IUPAC7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C19H12N2O3S/c22-21(23)14-6-8-15(9-7-14)24-17-10-11-20-16-12-18(25-19(16)17)13-4-2-1-3-5-13/h1-12H
InChIKeyIWFFZJFPIHXRLP-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.66
Rot. Bonds4

About 7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine

7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine (PubChem CID 59424420) has the molecular formula C19H12N2O3S and a molecular weight of 348.38 g/mol. Its IUPAC name is 7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine
PubChem CID59424420
Molecular FormulaC19H12N2O3S
Molecular Weight348.38 g/mol
Exact Mass348.06
IUPAC Name7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccc(Oc2ccnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C19H12N2O3S/c22-21(23)14-6-8-15(9-7-14)24-17-10-11-20-16-12-18(25-19(16)17)13-4-2-1-3-5-13/h1-12H
InChIKeyIWFFZJFPIHXRLP-UHFFFAOYSA-N
XLogP5.66
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.66
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

4-[7-(4-aminophenoxy)thieno[3,2-b]pyridin-2-yl]phenol;ethane
CID 143171722
2-[3,4-bis(3-chloropropoxy)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 66649121
7-(2-fluoro-4-nitrophenoxy)-2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridine
CID 174676619
7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
CID 141137493
2-bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 59424521
CID 89281854
CID 89281854
2-[4-(chloromethyl)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine;hexan-2-one
CID 123568430
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
2-[3-(4-nitrophenoxy)phenyl]-1,3-benzothiazole
CID 9319908
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
2,3-dimethoxy-8-(4-nitrophenoxy)-1,5-naphthyridine
CID 139349383
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-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine?
The IUPAC name of 7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine (CID 59424420) is 7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine.
What is the SMILES notation for 7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine?
The canonical SMILES for 7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine is O=[N+]([O-])c1ccc(Oc2ccnc3cc(-c4ccccc4)sc23)cc1.
What is the InChIKey of 7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine?
The InChIKey is IWFFZJFPIHXRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3S/c22-21(23)14-6-8-15(9-7-14)24-17-10-11-20-16-12-18(25-19(16)17)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine?
7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine has a molecular weight of 348.38 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-nitrophenoxy)-2-phenylthieno[3,2-b]pyridine is sourced from PubChem (CID 59424420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).