6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one

C7H3Cl2N3O — CID 172684386

IUPAC6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2nc(Cl)c(Cl)cc12
InChIInChI=1S/C7H3Cl2N3O/c8-4-1-3-6(12-5(4)9)10-2-11-7(3)13/h1-2H,(H,10,11,12,13)
InChIKeyAVKSACCPUAKWDS-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.62
Rot. Bonds

About 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one

6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 172684386) has the molecular formula C7H3Cl2N3O and a molecular weight of 216.03 g/mol. Its IUPAC name is 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID172684386
Molecular FormulaC7H3Cl2N3O
Molecular Weight216.03 g/mol
Exact Mass214.97
IUPAC Name6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2nc(Cl)c(Cl)cc12
InChIInChI=1S/C7H3Cl2N3O/c8-4-1-3-6(12-5(4)9)10-2-11-7(3)13/h1-2H,(H,10,11,12,13)
InChIKeyAVKSACCPUAKWDS-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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Related Compounds

7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292826
7-chloro-6-iodo-3H-quinazolin-4-one
CID 136641881
6-chloro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135480525
4-chloro-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 137131854
1,7-dihydropurin-6-one
CID 135546991
2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135408571
5,6-dichloro-1H-imidazo[4,5-b]pyrazine
CID 6185514
6,8-dichloro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 168877692
6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137302564
azane;1,7-dihydropurin-6-one
CID 158320966
CID 135618481
CID 135618481
2-chloro-1,7-dihydropurin-6-one
CID 160598455

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 172684386) is 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2nc(Cl)c(Cl)cc12.
What is the InChIKey of 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is AVKSACCPUAKWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3O/c8-4-1-3-6(12-5(4)9)10-2-11-7(3)13/h1-2H,(H,10,11,12,13).
What are the key properties of 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one?
6,7-dichloro-3H-pyrido[2,3-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 6,7-dichloro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 172684386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).