7-nitropyrido[1,2-a]pyrimidin-4-one

C8H5N3O3 — CID 23246546

IUPAC7-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C8H5N3O3/c12-8-3-4-9-7-2-1-6(11(13)14)5-10(7)8/h1-5H
InChIKeyUKEOGGMUOLVIJZ-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.60
Rot. Bonds1

About 7-nitropyrido[1,2-a]pyrimidin-4-one

7-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 23246546) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 7-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID23246546
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name7-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C8H5N3O3/c12-8-3-4-9-7-2-1-6(11(13)14)5-10(7)8/h1-5H
InChIKeyUKEOGGMUOLVIJZ-UHFFFAOYSA-N
XLogP0.60
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 50.60
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

4H-Pyrido[1,2-a]pyrimidin-4-one
CID 354785
2-chloro-3-nitro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1204835
2-chloro-7-nitro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 137949280
2-methyl-3-nitro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 5345374
2-Hydroxy-3-nitro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135454286
9-Methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 12349774
7-Nitro-4-(trifluoromethyl)pyrido[1,2-a]pyrimidin-2-one
CID 85847367
7-Bromo-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 83903186
1-Oxidopyrido[1,2-a]pyrimidin-1-ium-2-one
CID 87923110
2-Methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 124706968
N-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 166571090
8-Methyl-2-(2-methylprop-1-enyl)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 11207656

Frequently Asked Questions

What is the IUPAC name of 7-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-nitropyrido[1,2-a]pyrimidin-4-one (CID 23246546) is 7-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-nitropyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2ccc([N+](=O)[O-])cn12.
What is the InChIKey of 7-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UKEOGGMUOLVIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-8-3-4-9-7-2-1-6(11(13)14)5-10(7)8/h1-5H.
What are the key properties of 7-nitropyrido[1,2-a]pyrimidin-4-one?
7-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 191.15 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 23246546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).