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

C15H13FN4O2 — CID 18095479

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCN(Cc1ccccc1F)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C15H13FN4O2/c1-18(10-11-6-2-3-7-12(11)16)14-15(20(21)22)19-9-5-4-8-13(19)17-14/h2-9H,10H2,1H3
InChIKeyODLHGBWYYANMAQ-UHFFFAOYSA-N
MW300.29 g/mol
LogP3.02
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 18095479) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID18095479
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCN(Cc1ccccc1F)c1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C15H13FN4O2/c1-18(10-11-6-2-3-7-12(11)16)14-15(20(21)22)19-9-5-4-8-13(19)17-14/h2-9H,10H2,1H3
InChIKeyODLHGBWYYANMAQ-UHFFFAOYSA-N
XLogP3.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095873
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 61412739
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095255
N,N-diethyl-2-[methyl-(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]acetamide
CID 18095657
2-[(2-fluorophenyl)methyl-methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 171704417
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095876
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-5-nitropyrimidin-4-amine
CID 62101190
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 51112547
1-[methyl-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methyl]amino]propan-2-ol
CID 62334856
N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095557
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80898186
6-chloro-N-[(2-fluorophenyl)methyl]-N-methyl-4-nitropyridin-2-amine
CID 103888286

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 18095479) is N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine is CN(Cc1ccccc1F)c1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is ODLHGBWYYANMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-18(10-11-6-2-3-7-12(11)16)14-15(20(21)22)19-9-5-4-8-13(19)17-14/h2-9H,10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 300.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18095479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).