7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine

C14H8FIN2O3S — CID 143768861

IUPAC7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2ccnc3cc(I)sc23)c(F)c1
InChIInChI=1S/C14H8FIN2O3S/c15-10-5-9(18(19)20)1-2-12(10)21-7-8-3-4-17-11-6-13(16)22-14(8)11/h1-6H,7H2
InChIKeyVJIUJBGRDQFUQX-UHFFFAOYSA-N
MW430.20 g/mol
LogP4.53
Rot. Bonds4

About 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine

7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine (PubChem CID 143768861) has the molecular formula C14H8FIN2O3S and a molecular weight of 430.20 g/mol. Its IUPAC name is 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine
PubChem CID143768861
Molecular FormulaC14H8FIN2O3S
Molecular Weight430.20 g/mol
Exact Mass429.93
IUPAC Name7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine
SMILESO=[N+]([O-])c1ccc(OCc2ccnc3cc(I)sc23)c(F)c1
InChIInChI=1S/C14H8FIN2O3S/c15-10-5-9(18(19)20)1-2-12(10)21-7-8-3-4-17-11-6-13(16)22-14(8)11/h1-6H,7H2
InChIKeyVJIUJBGRDQFUQX-UHFFFAOYSA-N
XLogP4.53
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.20
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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
2-[7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl]ethanol
CID 69341594
2,4-dichloro-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridine
CID 116519429
ethane;7-(2-fluoro-4-nitrophenoxy)-2-methylsulfanylthieno[3,2-b]pyridine
CID 143171687
7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine-2-carboxylic acid
CID 59424536
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665
1-(chloromethoxy)-2-fluoro-4-nitrobenzene
CID 79530789
[5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765434
4-[(2-amino-5-nitrophenyl)methoxy]-3-fluorobenzonitrile
CID 107668142
3-[(2-fluoro-4-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570865
2-[3,4-bis(3-chloropropoxy)phenyl]-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridine
CID 66649121

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine?
The IUPAC name of 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine (CID 143768861) is 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine.
What is the SMILES notation for 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine?
The canonical SMILES for 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine is O=[N+]([O-])c1ccc(OCc2ccnc3cc(I)sc23)c(F)c1.
What is the InChIKey of 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine?
The InChIKey is VJIUJBGRDQFUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN2O3S/c15-10-5-9(18(19)20)1-2-12(10)21-7-8-3-4-17-11-6-13(16)22-14(8)11/h1-6H,7H2.
What are the key properties of 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine?
7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine has a molecular weight of 430.20 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-4-nitrophenoxy)methyl]-2-iodothieno[3,2-b]pyridine is sourced from PubChem (CID 143768861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).