9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one

C9H7N3O3 — CID 123492079

IUPAC9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)cc(N=O)nc12
InChIInChI=1S/C9H7N3O3/c1-15-6-3-2-4-12-8(13)5-7(11-14)10-9(6)12/h2-5H,1H3
InChIKeyDVDIDKIFVWACAB-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.10
Rot. Bonds2

About 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one

9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one (PubChem CID 123492079) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one
PubChem CID123492079
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)cc(N=O)nc12
InChIInChI=1S/C9H7N3O3/c1-15-6-3-2-4-12-8(13)5-7(11-14)10-9(6)12/h2-5H,1H3
InChIKeyDVDIDKIFVWACAB-UHFFFAOYSA-N
XLogP1.10
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one (CID 123492079) is 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one is COc1cccn2c(=O)cc(N=O)nc12.
What is the InChIKey of 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DVDIDKIFVWACAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c1-15-6-3-2-4-12-8(13)5-7(11-14)10-9(6)12/h2-5H,1H3.
What are the key properties of 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one?
9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one has a molecular weight of 205.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-nitrosopyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123492079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).