2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid

C21H16N2O3S2 — CID 71157282

IUPAC2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid
SMILESNc1c(-c2cccs2)cc(-c2cccs2)nc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C21H16N2O3S2/c22-18-14(16-8-4-10-27-16)12-15(17-9-5-11-28-17)23-20(18)26-19(21(24)25)13-6-2-1-3-7-13/h1-12,19H,22H2,(H,24,25)
InChIKeyMEALXNNMTXCUCZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.33
Rot. Bonds6

About 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid

2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid (PubChem CID 71157282) has the molecular formula C21H16N2O3S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid
PubChem CID71157282
Molecular FormulaC21H16N2O3S2
Molecular Weight408.50 g/mol
Exact Mass408.06
IUPAC Name2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid
SMILESNc1c(-c2cccs2)cc(-c2cccs2)nc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C21H16N2O3S2/c22-18-14(16-8-4-10-27-16)12-15(17-9-5-11-28-17)23-20(18)26-19(21(24)25)13-6-2-1-3-7-13/h1-12,19H,22H2,(H,24,25)
InChIKeyMEALXNNMTXCUCZ-UHFFFAOYSA-N
XLogP5.33
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-amino-4-(5-phenylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetic acid
CID 71157126
2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide
CID 71159727
prop-2-enyl 2-[(3-amino-4-cyclopentyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 89319931
ethyl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 143568553
2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-N'-hydrazinyl-2-phenylethanimidamide
CID 143568436
prop-2-enyl 2-[(3-cyano-4-propan-2-yl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 89320059
prop-2-enyl 2-[[4-[5-(4-bromophenyl)furan-2-yl]-3-cyano-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate
CID 143568593
prop-2-enyl 2-[[3-amino-4-(furan-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]oxy]-2-phenylacetate
CID 89320076
N-[(E)-C-aminocarbonohydrazonoyl]-2-[[3-cyano-4-(4H-pyran-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetamide
CID 143568425
ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate
CID 71157114
[(1S)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 126187868
2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid
CID 155667396

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid?
The IUPAC name of 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid (CID 71157282) is 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid is Nc1c(-c2cccs2)cc(-c2cccs2)nc1OC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid?
The InChIKey is MEALXNNMTXCUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S2/c22-18-14(16-8-4-10-27-16)12-15(17-9-5-11-28-17)23-20(18)26-19(21(24)25)13-6-2-1-3-7-13/h1-12,19H,22H2,(H,24,25).
What are the key properties of 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid?
2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid has a molecular weight of 408.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4,6-dithiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetic acid is sourced from PubChem (CID 71157282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).