N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine

C16H15FN4O3 — CID 18095873

IUPACN-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCN(CCOc1ccccc1F)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C16H15FN4O3/c1-19(10-11-24-13-7-3-2-6-12(13)17)15-16(21(22)23)20-9-5-4-8-14(20)18-15/h2-9H,10-11H2,1H3
InChIKeyDUNRQPNJBAEGKE-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 18095873) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID18095873
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCN(CCOc1ccccc1F)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C16H15FN4O3/c1-19(10-11-24-13-7-3-2-6-12(13)17)15-16(21(22)23)20-9-5-4-8-14(20)18-15/h2-9H,10-11H2,1H3
InChIKeyDUNRQPNJBAEGKE-UHFFFAOYSA-N
XLogP2.90
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
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 N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 18095873) is N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine is CN(CCOc1ccccc1F)c1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is DUNRQPNJBAEGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-19(10-11-24-13-7-3-2-6-12(13)17)15-16(21(22)23)20-9-5-4-8-14(20)18-15/h2-9H,10-11H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 330.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18095873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).