8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

C38H22Cl4F12N12O4 — CID 172966841

IUPAC8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.N#Cc1cn2cc(C(F)(F)F)cc(Cl)c2n1.N/C(=N\O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.NC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C11H8ClF3N2O2.C9H6ClF3N4O.C9H5ClF3N3O.C9H3ClF3N3/c1-2-19-10(18)8-5-17-4-6(11(13,14)15)3-7(12)9(17)16-8;10-5-1-4(9(11,12)13)2-17-3-6(7(14)16-18)15-8(5)17;10-5-1-4(9(11,12)13)2-16-3-6(7(14)17)15-8(5)16;10-7-1-5(9(11,12)13)3-16-4-6(2-14)15-8(7)16/h3-5H,2H2,1H3;1-3,18H,(H2,14,16);1-3H,(H2,14,17);1,3-4H
InChIKeyJZLGALGCPUJTQW-UHFFFAOYSA-N
MW1080.46 g/mol
LogP10.27
Rot. Bonds4

About 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate

8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 172966841) has the molecular formula C38H22Cl4F12N12O4 and a molecular weight of 1080.46 g/mol. Its IUPAC name is 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID172966841
Molecular FormulaC38H22Cl4F12N12O4
Molecular Weight1080.46 g/mol
Exact Mass1078.04
IUPAC Name8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.N#Cc1cn2cc(C(F)(F)F)cc(Cl)c2n1.N/C(=N\O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.NC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C11H8ClF3N2O2.C9H6ClF3N4O.C9H5ClF3N3O.C9H3ClF3N3/c1-2-19-10(18)8-5-17-4-6(11(13,14)15)3-7(12)9(17)16-8;10-5-1-4(9(11,12)13)2-17-3-6(7(14)16-18)15-8(5)17;10-5-1-4(9(11,12)13)2-16-3-6(7(14)17)15-8(5)16;10-7-1-5(9(11,12)13)3-16-4-6(2-14)15-8(7)16/h3-5H,2H2,1H3;1-3,18H,(H2,14,16);1-3H,(H2,14,17);1,3-4H
InChIKeyJZLGALGCPUJTQW-UHFFFAOYSA-N
XLogP10.27
TPSA220.99 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001080.46
LogP ≤ 510.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 172966841) is 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.N#Cc1cn2cc(C(F)(F)F)cc(Cl)c2n1.N/C(=N\O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.NC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is JZLGALGCPUJTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2.C9H6ClF3N4O.C9H5ClF3N3O.C9H3ClF3N3/c1-2-19-10(18)8-5-17-4-6(11(13,14)15)3-7(12)9(17)16-8;10-5-1-4(9(11,12)13)2-17-3-6(7(14)16-18)15-8(5)17;10-5-1-4(9(11,12)13)2-16-3-6(7(14)17)15-8(5)16;10-7-1-5(9(11,12)13)3-16-4-6(2-14)15-8(7)16/h3-5H,2H2,1H3;1-3,18H,(H2,14,16);1-3H,(H2,14,17);1,3-4H.
What are the key properties of 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate?
8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 1080.46 g/mol, XLogP of 10.27, 4 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 172966841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).