3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine

C13H8FN3O2 — CID 122403866

IUPAC3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3ccccn3c2F)c1
InChIInChI=1S/C13H8FN3O2/c14-13-12(15-11-6-1-2-7-16(11)13)9-4-3-5-10(8-9)17(18)19/h1-8H
InChIKeyWPGMJHIEGFPMJP-UHFFFAOYSA-N
MW257.22 g/mol
LogP3.05
Rot. Bonds2

About 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine

3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 122403866) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID122403866
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3ccccn3c2F)c1
InChIInChI=1S/C13H8FN3O2/c14-13-12(15-11-6-1-2-7-16(11)13)9-4-3-5-10(8-9)17(18)19/h1-8H
InChIKeyWPGMJHIEGFPMJP-UHFFFAOYSA-N
XLogP3.05
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58278225
2-(3-chlorophenyl)-3-nitroimidazo[1,2-a]pyridine
CID 57338731
3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 115403762
1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 1124710
3-fluoro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine
CID 133055008
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
1-[[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7023786
1-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 3867858
2-(4-bromophenyl)-3-fluoroimidazo[1,2-a]pyridine
CID 133059378

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine (CID 122403866) is 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine is O=[N+]([O-])c1cccc(-c2nc3ccccn3c2F)c1.
What is the InChIKey of 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is WPGMJHIEGFPMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-13-12(15-11-6-1-2-7-16(11)13)9-4-3-5-10(8-9)17(18)19/h1-8H.
What are the key properties of 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine?
3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 257.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 122403866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).