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

C8H4ClN3O3 — CID 1204835

IUPAC2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])c(Cl)nc2ccccn12
InChIInChI=1S/C8H4ClN3O3/c9-7-6(12(14)15)8(13)11-4-2-1-3-5(11)10-7/h1-4H
InChIKeyHRMUOPNLPLATOR-UHFFFAOYSA-N
MW225.59 g/mol
LogP1.26
Rot. Bonds1

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

2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 1204835) has the molecular formula C8H4ClN3O3 and a molecular weight of 225.59 g/mol. Its IUPAC name is 2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID1204835
Molecular FormulaC8H4ClN3O3
Molecular Weight225.59 g/mol
Exact Mass224.99
IUPAC Name2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])c(Cl)nc2ccccn12
InChIInChI=1S/C8H4ClN3O3/c9-7-6(12(14)15)8(13)11-4-2-1-3-5(11)10-7/h1-4H
InChIKeyHRMUOPNLPLATOR-UHFFFAOYSA-N
XLogP1.26
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.59
LogP ≤ 51.26
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-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
2-Chloro-3-nitro-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 87170426
9-Methyl-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 12349774
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
7-Nitro-pyrido[1,2-a]pyrimidin-4-one
CID 23246546
7-Bromo-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 83903186
2-Chloro-9-methyl-3-nitro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 86690355
2-Chloro-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 89368729
2-Methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 124706968

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 1204835) is 2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one is O=c1c([N+](=O)[O-])c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HRMUOPNLPLATOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O3/c9-7-6(12(14)15)8(13)11-4-2-1-3-5(11)10-7/h1-4H.
What are the key properties of 2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one?
2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 225.59 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 1204835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).