7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one

C6H4N4O3 — CID 3740036

IUPAC7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one
SMILESO=c1[nH]cc([N+](=O)[O-])c2nc[nH]c12
InChIInChI=1S/C6H4N4O3/c11-6-5-4(8-2-9-5)3(1-7-6)10(12)13/h1-2H,(H,7,11)(H,8,9)
InChIKeyUPBLMGMIIRGNIK-UHFFFAOYSA-N
MW180.12 g/mol
LogP0.16
Rot. Bonds1

About 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one

7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one (PubChem CID 3740036) has the molecular formula C6H4N4O3 and a molecular weight of 180.12 g/mol. Its IUPAC name is 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one
PubChem CID3740036
Molecular FormulaC6H4N4O3
Molecular Weight180.12 g/mol
Exact Mass180.03
IUPAC Name7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one
SMILESO=c1[nH]cc([N+](=O)[O-])c2nc[nH]c12
InChIInChI=1S/C6H4N4O3/c11-6-5-4(8-2-9-5)3(1-7-6)10(12)13/h1-2H,(H,7,11)(H,8,9)
InChIKeyUPBLMGMIIRGNIK-UHFFFAOYSA-N
XLogP0.16
TPSA104.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 50.16
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one (CID 3740036) is 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one is O=c1[nH]cc([N+](=O)[O-])c2nc[nH]c12.
What is the InChIKey of 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
The InChIKey is UPBLMGMIIRGNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O3/c11-6-5-4(8-2-9-5)3(1-7-6)10(12)13/h1-2H,(H,7,11)(H,8,9).
What are the key properties of 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one?
7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one has a molecular weight of 180.12 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-3,5-dihydroimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 3740036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).