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

C8H4ClN3O3 — CID 83892268

IUPAC7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])cnc2ccc(Cl)cn12
InChIInChI=1S/C8H4ClN3O3/c9-5-1-2-7-10-3-6(12(14)15)8(13)11(7)4-5/h1-4H
InChIKeyBYZJZZBYYKPWHF-UHFFFAOYSA-N
MW225.59 g/mol
LogP1.26
Rot. Bonds1

About 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one

7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83892268) has the molecular formula C8H4ClN3O3 and a molecular weight of 225.59 g/mol. Its IUPAC name is 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID83892268
Molecular FormulaC8H4ClN3O3
Molecular Weight225.59 g/mol
Exact Mass224.99
IUPAC Name7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])cnc2ccc(Cl)cn12
InChIInChI=1S/C8H4ClN3O3/c9-5-1-2-7-10-3-6(12(14)15)8(13)11(7)4-5/h1-4H
InChIKeyBYZJZZBYYKPWHF-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 83892268) is 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one is O=c1c([N+](=O)[O-])cnc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BYZJZZBYYKPWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O3/c9-5-1-2-7-10-3-6(12(14)15)8(13)11(7)4-5/h1-4H.
What are the key properties of 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one?
7-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 7-chloro-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83892268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).