4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine

C34H21F2IN2OS2 — CID 157194637

IUPAC4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine
SMILESFc1ccc(-c2sc(-c3ccco3)cc2-c2ccncc2)cc1.Fc1ccc(-c2sc(I)cc2-c2ccncc2)cc1
InChIInChI=1S/C19H12FNOS.C15H9FINS/c20-15-5-3-14(4-6-15)19-16(13-7-9-21-10-8-13)12-18(23-19)17-2-1-11-22-17;16-12-3-1-11(2-4-12)15-13(9-14(17)19-15)10-5-7-18-8-6-10/h1-12H;1-9H
InChIKeyAQCHSFXNVDQUAJ-UHFFFAOYSA-N
MW702.59 g/mol
LogP11.10
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine

4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine (PubChem CID 157194637) has the molecular formula C34H21F2IN2OS2 and a molecular weight of 702.59 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine
PubChem CID157194637
Molecular FormulaC34H21F2IN2OS2
Molecular Weight702.59 g/mol
Exact Mass702.01
IUPAC Name4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine
SMILESFc1ccc(-c2sc(-c3ccco3)cc2-c2ccncc2)cc1.Fc1ccc(-c2sc(I)cc2-c2ccncc2)cc1
InChIInChI=1S/C19H12FNOS.C15H9FINS/c20-15-5-3-14(4-6-15)19-16(13-7-9-21-10-8-13)12-18(23-19)17-2-1-11-22-17;16-12-3-1-11(2-4-12)15-13(9-14(17)19-15)10-5-7-18-8-6-10/h1-12H;1-9H
InChIKeyAQCHSFXNVDQUAJ-UHFFFAOYSA-N
XLogP11.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.59
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[5-[4-(Furan-2-yl)-3-pyridinyl]thiophen-2-yl]methanamine;dihydrochloride
CID 145955289
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone
CID 118911854
2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
4-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583654
1-[2-(2,5-Difluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone
CID 12112789
1-[4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophen-2-yl]-N-methylmethanamine
CID 25255090
1-[3-(4-Fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one
CID 58026326

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine (CID 157194637) is 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine is Fc1ccc(-c2sc(-c3ccco3)cc2-c2ccncc2)cc1.Fc1ccc(-c2sc(I)cc2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine?
The InChIKey is AQCHSFXNVDQUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNOS.C15H9FINS/c20-15-5-3-14(4-6-15)19-16(13-7-9-21-10-8-13)12-18(23-19)17-2-1-11-22-17;16-12-3-1-11(2-4-12)15-13(9-14(17)19-15)10-5-7-18-8-6-10/h1-12H;1-9H.
What are the key properties of 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine?
4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine has a molecular weight of 702.59 g/mol, XLogP of 11.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine;4-[2-(4-fluorophenyl)-5-iodothiophen-3-yl]pyridine is sourced from PubChem (CID 157194637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).