4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine

C15H12ClNS2 — CID 20575157

IUPAC4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine
SMILESCN1C=CC(=C(c2cccs2)c2ccsc2Cl)C=C1
InChIInChI=1S/C15H12ClNS2/c1-17-7-4-11(5-8-17)14(13-3-2-9-18-13)12-6-10-19-15(12)16/h2-10H,1H3
InChIKeyXBAUMBTVTUZLLC-UHFFFAOYSA-N
MW305.86 g/mol
LogP5.24
Rot. Bonds2

About 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine

4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine (PubChem CID 20575157) has the molecular formula C15H12ClNS2 and a molecular weight of 305.86 g/mol. Its IUPAC name is 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine.

Molecular Properties

Compound Name4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine
PubChem CID20575157
Molecular FormulaC15H12ClNS2
Molecular Weight305.86 g/mol
Exact Mass305.01
IUPAC Name4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine
SMILESCN1C=CC(=C(c2cccs2)c2ccsc2Cl)C=C1
InChIInChI=1S/C15H12ClNS2/c1-17-7-4-11(5-8-17)14(13-3-2-9-18-13)12-6-10-19-15(12)16/h2-10H,1H3
InChIKeyXBAUMBTVTUZLLC-UHFFFAOYSA-N
XLogP5.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.86
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopenta-2,4-dien-1-ylidene(thiophen-2-yl)methyl]thiophene
CID 11139311
2-[bis(4-chlorophenyl)methyl]-5-[[2,3-bis(dithiophen-2-ylmethylidene)cyclopropylidene]-thiophen-2-ylmethyl]thiophene
CID 102462682
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
(1S,5R)-3-(dithiophen-2-ylmethylidene)-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 159647694
(2S)-1-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropane-1,3-dione
CID 129383182
(4-chloro-3,5-dimethylphenyl) thiophene-2-carboxylate
CID 718567
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
1,5-bis(4-chlorophenyl)-2,4-dithiophen-2-ylpenta-1,4-dien-3-one
CID 141329084
(NE)-N-[(2-amino-5-chlorophenyl)-thiophen-2-ylmethylidene]hydroxylamine
CID 119090697
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine?
The IUPAC name of 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine (CID 20575157) is 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine.
What is the SMILES notation for 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine?
The canonical SMILES for 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine is CN1C=CC(=C(c2cccs2)c2ccsc2Cl)C=C1.
What is the InChIKey of 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine?
The InChIKey is XBAUMBTVTUZLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNS2/c1-17-7-4-11(5-8-17)14(13-3-2-9-18-13)12-6-10-19-15(12)16/h2-10H,1H3.
What are the key properties of 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine?
4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine has a molecular weight of 305.86 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorothiophen-3-yl)-thiophen-2-ylmethylidene]-1-methylpyridine is sourced from PubChem (CID 20575157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).