6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one

C7H5ClN2O2 — CID 155691308

IUPAC6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
SMILESO=C1Nc2cnc(Cl)cc2CO1
InChIInChI=1S/C7H5ClN2O2/c8-6-1-4-3-12-7(11)10-5(4)2-9-6/h1-2H,3H2,(H,10,11)
InChIKeyAVTXAHSAYWKETQ-UHFFFAOYSA-N
MW184.58 g/mol
LogP1.80
Rot. Bonds

About 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one

6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one (PubChem CID 155691308) has the molecular formula C7H5ClN2O2 and a molecular weight of 184.58 g/mol. Its IUPAC name is 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
PubChem CID155691308
Molecular FormulaC7H5ClN2O2
Molecular Weight184.58 g/mol
Exact Mass184.00
IUPAC Name6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one
SMILESO=C1Nc2cnc(Cl)cc2CO1
InChIInChI=1S/C7H5ClN2O2/c8-6-1-4-3-12-7(11)10-5(4)2-9-6/h1-2H,3H2,(H,10,11)
InChIKeyAVTXAHSAYWKETQ-UHFFFAOYSA-N
XLogP1.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one?
The IUPAC name of 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one (CID 155691308) is 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one.
What is the SMILES notation for 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one?
The canonical SMILES for 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one is O=C1Nc2cnc(Cl)cc2CO1.
What is the InChIKey of 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one?
The InChIKey is AVTXAHSAYWKETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2/c8-6-1-4-3-12-7(11)10-5(4)2-9-6/h1-2H,3H2,(H,10,11).
What are the key properties of 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one?
6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one has a molecular weight of 184.58 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4-dihydropyrido[3,4-d][1,3]oxazin-2-one is sourced from PubChem (CID 155691308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).