4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol

C13H15N3O3S — CID 86717418

IUPAC4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cnc2ccsc2c1NC1CCC(O)CC1
InChIInChI=1S/C13H15N3O3S/c17-9-3-1-8(2-4-9)15-12-11(16(18)19)7-14-10-5-6-20-13(10)12/h5-9,17H,1-4H2,(H,14,15)
InChIKeyGXNVLWDIVJZZOS-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.92
Rot. Bonds3

About 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol

4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol (PubChem CID 86717418) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol
PubChem CID86717418
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1cnc2ccsc2c1NC1CCC(O)CC1
InChIInChI=1S/C13H15N3O3S/c17-9-3-1-8(2-4-9)15-12-11(16(18)19)7-14-10-5-6-20-13(10)12/h5-9,17H,1-4H2,(H,14,15)
InChIKeyGXNVLWDIVJZZOS-UHFFFAOYSA-N
XLogP2.92
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol (CID 86717418) is 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol is O=[N+]([O-])c1cnc2ccsc2c1NC1CCC(O)CC1.
What is the InChIKey of 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol?
The InChIKey is GXNVLWDIVJZZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-9-3-1-8(2-4-9)15-12-11(16(18)19)7-14-10-5-6-20-13(10)12/h5-9,17H,1-4H2,(H,14,15).
What are the key properties of 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol?
4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol has a molecular weight of 293.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-nitrothieno[3,2-b]pyridin-7-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 86717418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).