8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C14H11F3N4O3 — CID 155666856

IUPAC8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESO=c1ccc([N+](=O)[O-])c2n1CCN2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H11F3N4O3/c15-14(16,17)11-3-1-9(7-18-11)8-19-5-6-20-12(22)4-2-10(13(19)20)21(23)24/h1-4,7H,5-6,8H2
InChIKeyBARIMTHQMSDRIT-UHFFFAOYSA-N
MW340.26 g/mol
LogP2.19
Rot. Bonds3

About 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one

8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 155666856) has the molecular formula C14H11F3N4O3 and a molecular weight of 340.26 g/mol. Its IUPAC name is 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID155666856
Molecular FormulaC14H11F3N4O3
Molecular Weight340.26 g/mol
Exact Mass340.08
IUPAC Name8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESO=c1ccc([N+](=O)[O-])c2n1CCN2Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H11F3N4O3/c15-14(16,17)11-3-1-9(7-18-11)8-19-5-6-20-12(22)4-2-10(13(19)20)21(23)24/h1-4,7H,5-6,8H2
InChIKeyBARIMTHQMSDRIT-UHFFFAOYSA-N
XLogP2.19
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 52.19
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 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 155666856) is 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one is O=c1ccc([N+](=O)[O-])c2n1CCN2Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is BARIMTHQMSDRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O3/c15-14(16,17)11-3-1-9(7-18-11)8-19-5-6-20-12(22)4-2-10(13(19)20)21(23)24/h1-4,7H,5-6,8H2.
What are the key properties of 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 340.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 155666856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).