XXO

2-(furan-2-yl)pyridine-4-carboxylic acid

Created:	2017-07-20
Last modified:	2017-11-15

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1 entries where XXO 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	11

2D diagram of XXO

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Chemical Component Summary
Name	2-(furan-2-yl)pyridine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	2-(furan-2-yl)pyridine-4-carboxylic acid
Formula	C₁₀ H₇ N O₃
Molecular Weight	189.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(c1nccc(c1)C(O)=O)ccco2
SMILES	CACTVS	3.385	OC(=O)c1ccnc(c1)c2occc2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)c2cc(ccn2)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1ccnc(c1)c2occc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(oc1)c2cc(ccn2)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H7NO3/c12-10(13)7-3-4-11-8(6-7)9-2-1-5-14-9/h1-6H,(H,12,13)
InChIKey	InChI	1.03	RDJBDQGUVODXPZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	28875517
ChEMBL	CHEMBL3613316

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