2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol

C11H10ClN3O3S — CID 103888758

IUPAC2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESO=[N+]([O-])c1cc(Cl)nc(NCC(O)c2ccsc2)c1
InChIInChI=1S/C11H10ClN3O3S/c12-10-3-8(15(17)18)4-11(14-10)13-5-9(16)7-1-2-19-6-7/h1-4,6,9,16H,5H2,(H,13,14)
InChIKeyIKFISTWRYABZFZ-UHFFFAOYSA-N
MW299.74 g/mol
LogP2.85
Rot. Bonds5

About 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol

2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol (PubChem CID 103888758) has the molecular formula C11H10ClN3O3S and a molecular weight of 299.74 g/mol. Its IUPAC name is 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
PubChem CID103888758
Molecular FormulaC11H10ClN3O3S
Molecular Weight299.74 g/mol
Exact Mass299.01
IUPAC Name2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
SMILESO=[N+]([O-])c1cc(Cl)nc(NCC(O)c2ccsc2)c1
InChIInChI=1S/C11H10ClN3O3S/c12-10-3-8(15(17)18)4-11(14-10)13-5-9(16)7-1-2-19-6-7/h1-4,6,9,16H,5H2,(H,13,14)
InChIKeyIKFISTWRYABZFZ-UHFFFAOYSA-N
XLogP2.85
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(6-chloro-4-nitro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 113346459
2-(2-methyl-5-nitroanilino)-1-thiophen-3-ylethanol
CID 106435938
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
2-[(5-chloro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103705029
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436448
1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
CID 103888980
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
2-[(5-amino-6-methyl-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 114188456
2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 133402202
4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-nitrobenzoic acid
CID 106435567
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-nitrobenzamide
CID 106434940

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol (CID 103888758) is 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol is O=[N+]([O-])c1cc(Cl)nc(NCC(O)c2ccsc2)c1.
What is the InChIKey of 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
The InChIKey is IKFISTWRYABZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S/c12-10-3-8(15(17)18)4-11(14-10)13-5-9(16)7-1-2-19-6-7/h1-4,6,9,16H,5H2,(H,13,14).
What are the key properties of 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol?
2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol has a molecular weight of 299.74 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103888758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).