4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol

C15H14N4O3 — CID 60567803

IUPAC4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
SMILESO=[N+]([O-])c1c(NCCc2ccc(O)cc2)nc2ccccn12
InChIInChI=1S/C15H14N4O3/c20-12-6-4-11(5-7-12)8-9-16-14-15(19(21)22)18-10-2-1-3-13(18)17-14/h1-7,10,16,20H,8-9H2
InChIKeyLJZJSRSAZPSVFW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol

4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol (PubChem CID 60567803) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
PubChem CID60567803
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
SMILESO=[N+]([O-])c1c(NCCc2ccc(O)cc2)nc2ccccn12
InChIInChI=1S/C15H14N4O3/c20-12-6-4-11(5-7-12)8-9-16-14-15(19(21)22)18-10-2-1-3-13(18)17-14/h1-7,10,16,20H,8-9H2
InChIKeyLJZJSRSAZPSVFW-UHFFFAOYSA-N
XLogP2.60
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.60
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-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol (CID 60567803) is 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol is O=[N+]([O-])c1c(NCCc2ccc(O)cc2)nc2ccccn12.
What is the InChIKey of 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol?
The InChIKey is LJZJSRSAZPSVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-12-6-4-11(5-7-12)8-9-16-14-15(19(21)22)18-10-2-1-3-13(18)17-14/h1-7,10,16,20H,8-9H2.
What are the key properties of 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol?
4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol has a molecular weight of 298.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol is sourced from PubChem (CID 60567803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).