(4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate

C14H10N4O5 — CID 141170730

IUPAC(4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate
SMILESO=C(Cn1c(=O)[nH]c2ncccc21)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O5/c19-12(23-10-5-3-9(4-6-10)18(21)22)8-17-11-2-1-7-15-13(11)16-14(17)20/h1-7H,8H2,(H,15,16,20)
InChIKeyZWVFOGFHJYCKPY-UHFFFAOYSA-N
MW314.26 g/mol
LogP1.24
Rot. Bonds4

About (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate

(4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate (PubChem CID 141170730) has the molecular formula C14H10N4O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate.

Molecular Properties

Compound Name(4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate
PubChem CID141170730
Molecular FormulaC14H10N4O5
Molecular Weight314.26 g/mol
Exact Mass314.07
IUPAC Name(4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate
SMILESO=C(Cn1c(=O)[nH]c2ncccc21)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N4O5/c19-12(23-10-5-3-9(4-6-10)18(21)22)8-17-11-2-1-7-15-13(11)16-14(17)20/h1-7H,8H2,(H,15,16,20)
InChIKeyZWVFOGFHJYCKPY-UHFFFAOYSA-N
XLogP1.24
TPSA120.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-[(3-nitrophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 83290800
3-(4-nitrophenoxy)-3-oxopropanoic acid
CID 14314981
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
(4-nitrophenyl) 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
CID 5210000
CID 174317395
CID 174317395
(4-nitrophenyl) 2-benzylsulfanylacetate
CID 14410541
(4-nitrophenyl) 2-[(2-anilino-3-pyridinyl)amino]acetate
CID 88999224
(4-nitrophenyl) 4-(4-nitrophenoxy)butanoate
CID 14661644
(4-nitrophenyl) 2-cyanoacetate
CID 12861984
3-O-(4-nitrophenyl) 1-O-(4-nitrosophenyl) propanedioate
CID 88551647
(4-nitrophenyl) benzimidazole-1-carboxylate
CID 139898863
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 41233466

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate?
The IUPAC name of (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate (CID 141170730) is (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate.
What is the SMILES notation for (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate?
The canonical SMILES for (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate is O=C(Cn1c(=O)[nH]c2ncccc21)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate?
The InChIKey is ZWVFOGFHJYCKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O5/c19-12(23-10-5-3-9(4-6-10)18(21)22)8-17-11-2-1-7-15-13(11)16-14(17)20/h1-7H,8H2,(H,15,16,20).
What are the key properties of (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate?
(4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate has a molecular weight of 314.26 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 2-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)acetate is sourced from PubChem (CID 141170730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).