VM1

5-(2-thienyl)nicotinic acid

Created:	2009-09-18
Last modified:	2020-05-26

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1 entries where VM1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	12

2D diagram of VM1

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Chemical Component Summary
Name	5-(2-thienyl)nicotinic acid
Synonyms	5-thiophen-2-ylpyridine-3-carboxylic acid; 5-(thien-2-yl)nicotinic acid
Systematic Name (OpenEye OEToolkits)	5-thiophen-2-ylpyridine-3-carboxylic acid
Formula	C₁₀ H₇ N O₂ S
Molecular Weight	205.233
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(O)c2cncc(c1sccc1)c2
SMILES	CACTVS	3.352	OC(=O)c1cncc(c1)c2sccc2
SMILES	OpenEye OEToolkits	1.7.0	c1cc(sc1)c2cc(cnc2)C(=O)O
Canonical SMILES	CACTVS	3.352	OC(=O)c1cncc(c1)c2sccc2
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(sc1)c2cc(cnc2)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H7NO2S/c12-10(13)8-4-7(5-11-6-8)9-2-1-3-14-9/h1-6H,(H,12,13)
InChIKey	InChI	1.03	DFWKRZGYBOVSKW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2776322

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