2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one

C9H7N3O3 — CID 5345374

IUPAC2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O3/c1-6-8(12(14)15)9(13)11-5-3-2-4-7(11)10-6/h2-5H,1H3
InChIKeyVGPZYFBFHWKACG-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.91
Rot. Bonds1

About 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one

2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 5345374) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID5345374
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H7N3O3/c1-6-8(12(14)15)9(13)11-5-3-2-4-7(11)10-6/h2-5H,1H3
InChIKeyVGPZYFBFHWKACG-UHFFFAOYSA-N
XLogP0.91
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.91
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

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
3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1359737
2-Hydroxy-3-nitro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135454286
4-(Diethylamino)-3-nitro-2H-pyrido[1,2-a]pyrimidin-2-one
CID 338880
9-Methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 12349774
2,7-Dimethyl-3-nitro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 24862942
2-[Ethyl-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]amino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 71854374
7-Nitro-4-(trifluoromethyl)pyrido[1,2-a]pyrimidin-2-one
CID 85847367
2-(Azetidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 24243638
2-(4-Methylpiperazin-1-yl)-3-nitro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 42943710
9-Hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 12349773

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 5345374) is 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VGPZYFBFHWKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-6-8(12(14)15)9(13)11-5-3-2-4-7(11)10-6/h2-5H,1H3.
What are the key properties of 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 205.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 5345374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).