4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine

C19H13ClN2OS — CID 46229649

IUPAC4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine
SMILESCc1ccsc1-c1cc(-c2ccc(Cl)o2)cc(-c2cccnc2)n1
InChIInChI=1S/C19H13ClN2OS/c1-12-6-8-24-19(12)16-10-14(17-4-5-18(20)23-17)9-15(22-16)13-3-2-7-21-11-13/h2-11H,1H3
InChIKeyYVKIAYCUTMASNW-UHFFFAOYSA-N
MW352.85 g/mol
LogP6.09
Rot. Bonds3

About 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine

4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine (PubChem CID 46229649) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine.

Molecular Properties

Compound Name4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine
PubChem CID46229649
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC Name4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine
SMILESCc1ccsc1-c1cc(-c2ccc(Cl)o2)cc(-c2cccnc2)n1
InChIInChI=1S/C19H13ClN2OS/c1-12-6-8-24-19(12)16-10-14(17-4-5-18(20)23-17)9-15(22-16)13-3-2-7-21-11-13/h2-11H,1H3
InChIKeyYVKIAYCUTMASNW-UHFFFAOYSA-N
XLogP6.09
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)-4-(furan-2-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46201019
2-(2-Chlorophenyl)-4-(furan-2-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46201026
2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
CID 46229631
[3-(2-Chloro-4-pyridinyl)thiophen-2-yl]-(2-methoxyphenyl)methanone
CID 145979241
(5S,8S)-8-[3-chloro-5-[2-(furan-3-yl)-4-pyridinyl]thiophen-2-yl]-8-methyl-6,6-dioxo-2-oxa-6lambda6-thia-9-azaspiro[4.5]dec-9-en-10-amine
CID 89419896
(5R,8S)-8-[3-chloro-5-[2-(furan-3-yl)-4-pyridinyl]thiophen-2-yl]-8-methyl-6,6-dioxo-2-oxa-6lambda6-thia-9-azaspiro[4.5]dec-9-en-10-amine
CID 89419921
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
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

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine?
The IUPAC name of 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine (CID 46229649) is 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine.
What is the SMILES notation for 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine?
The canonical SMILES for 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine is Cc1ccsc1-c1cc(-c2ccc(Cl)o2)cc(-c2cccnc2)n1.
What is the InChIKey of 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine?
The InChIKey is YVKIAYCUTMASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c1-12-6-8-24-19(12)16-10-14(17-4-5-18(20)23-17)9-15(22-16)13-3-2-7-21-11-13/h2-11H,1H3.
What are the key properties of 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine?
4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine has a molecular weight of 352.85 g/mol, XLogP of 6.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine is sourced from PubChem (CID 46229649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).