2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine

C28H18FN3O3S3 — CID 58107068

IUPAC2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine
SMILESFC(c1cccc(Oc2cccs2)n1)(c1cccc(Oc2cccs2)n1)c1cccc(Oc2cccs2)n1
InChIInChI=1S/C28H18FN3O3S3/c29-28(19-7-1-10-22(30-19)33-25-13-4-16-36-25,20-8-2-11-23(31-20)34-26-14-5-17-37-26)21-9-3-12-24(32-21)35-27-15-6-18-38-27/h1-18H
InChIKeyJYSJNLSIICXNNA-UHFFFAOYSA-N
MW559.67 g/mol
LogP8.69
Rot. Bonds9

About 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine

2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine (PubChem CID 58107068) has the molecular formula C28H18FN3O3S3 and a molecular weight of 559.67 g/mol. Its IUPAC name is 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine.

Molecular Properties

Compound Name2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine
PubChem CID58107068
Molecular FormulaC28H18FN3O3S3
Molecular Weight559.67 g/mol
Exact Mass559.05
IUPAC Name2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine
SMILESFC(c1cccc(Oc2cccs2)n1)(c1cccc(Oc2cccs2)n1)c1cccc(Oc2cccs2)n1
InChIInChI=1S/C28H18FN3O3S3/c29-28(19-7-1-10-22(30-19)33-25-13-4-16-36-25,20-8-2-11-23(31-20)34-26-14-5-17-37-26)21-9-3-12-24(32-21)35-27-15-6-18-38-27/h1-18H
InChIKeyJYSJNLSIICXNNA-UHFFFAOYSA-N
XLogP8.69
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-Thiophen-2-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
CID 54037646
3-Methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
CID 54195812
4-Methyl-2-thiophen-3-yl-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
CID 70280256
6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)
CID 165167970
2-Phenylmethoxy-6-thiophen-2-ylpyridine
CID 101897269
2-Thiophen-3-yl-6-[[3-(trifluoromethyl)phenyl]methoxy]pyridine
CID 4109182
2-[(2,4-Difluorophenyl)methoxy]-6-thiophen-3-ylpyridine
CID 4146711
4-Methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 54294778
[6-[4-Butyl-5-[6-(4-butylthiophen-2-yl)-2-pyridinyl]thiophen-2-yl]-2-pyridinyl] trifluoromethanesulfonate
CID 72736471
(E)-N-tert-butylsulfanyl-1-[6-(4-fluorophenoxy)-2-pyridinyl]-1-(5-methylthiophen-3-yl)methanimine
CID 144923381
2-(2-Methylthiophen-3-yl)-6-phenoxypyridine
CID 70595338
[6-[6-(6-Methoxy-2-pyridinyl)-4-thiophen-2-yl-2-pyridinyl]-2-pyridinyl]methanol
CID 71048080

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine?
The IUPAC name of 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine (CID 58107068) is 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine.
What is the SMILES notation for 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine?
The canonical SMILES for 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine is FC(c1cccc(Oc2cccs2)n1)(c1cccc(Oc2cccs2)n1)c1cccc(Oc2cccs2)n1.
What is the InChIKey of 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine?
The InChIKey is JYSJNLSIICXNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN3O3S3/c29-28(19-7-1-10-22(30-19)33-25-13-4-16-36-25,20-8-2-11-23(31-20)34-26-14-5-17-37-26)21-9-3-12-24(32-21)35-27-15-6-18-38-27/h1-18H.
What are the key properties of 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine?
2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine has a molecular weight of 559.67 g/mol, XLogP of 8.69, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine is sourced from PubChem (CID 58107068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).