6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one

C7H3Cl2N3O — CID 168877692

IUPAC6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Cl)cc(Cl)nc12
InChIInChI=1S/C7H3Cl2N3O/c8-3-1-4(9)12-6-5(3)10-2-11-7(6)13/h1-2H,(H,10,11,13)
InChIKeyLBCVVWWQCAUEGS-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.62
Rot. Bonds

About 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one

6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 168877692) has the molecular formula C7H3Cl2N3O and a molecular weight of 216.03 g/mol. Its IUPAC name is 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID168877692
Molecular FormulaC7H3Cl2N3O
Molecular Weight216.03 g/mol
Exact Mass214.97
IUPAC Name6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(Cl)cc(Cl)nc12
InChIInChI=1S/C7H3Cl2N3O/c8-3-1-4(9)12-6-5(3)10-2-11-7(6)13/h1-2H,(H,10,11,13)
InChIKeyLBCVVWWQCAUEGS-UHFFFAOYSA-N
XLogP1.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.62
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 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one (CID 168877692) is 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(Cl)cc(Cl)nc12.
What is the InChIKey of 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is LBCVVWWQCAUEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3O/c8-3-1-4(9)12-6-5(3)10-2-11-7(6)13/h1-2H,(H,10,11,13).
What are the key properties of 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one?
6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 216.03 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 168877692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).