4,6-dichloropyrido[3,4-d]pyrimidine

C7H3Cl2N3 — CID 10821876

IUPAC4,6-dichloropyrido[3,4-d]pyrimidine
SMILESClc1cc2c(Cl)ncnc2cn1
InChIInChI=1S/C7H3Cl2N3/c8-6-1-4-5(2-10-6)11-3-12-7(4)9/h1-3H
InChIKeyCKPNVNAKQGYUSK-UHFFFAOYSA-N
MW200.03 g/mol
LogP2.33
Rot. Bonds

About 4,6-dichloropyrido[3,4-d]pyrimidine

4,6-dichloropyrido[3,4-d]pyrimidine (PubChem CID 10821876) has the molecular formula C7H3Cl2N3 and a molecular weight of 200.03 g/mol. Its IUPAC name is 4,6-dichloropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4,6-dichloropyrido[3,4-d]pyrimidine
PubChem CID10821876
Molecular FormulaC7H3Cl2N3
Molecular Weight200.03 g/mol
Exact Mass198.97
IUPAC Name4,6-dichloropyrido[3,4-d]pyrimidine
SMILESClc1cc2c(Cl)ncnc2cn1
InChIInChI=1S/C7H3Cl2N3/c8-6-1-4-5(2-10-6)11-3-12-7(4)9/h1-3H
InChIKeyCKPNVNAKQGYUSK-UHFFFAOYSA-N
XLogP2.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 52.33
H-Bond Donors ≤ 50
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 4,6-dichloropyrido[3,4-d]pyrimidine?
The IUPAC name of 4,6-dichloropyrido[3,4-d]pyrimidine (CID 10821876) is 4,6-dichloropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4,6-dichloropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4,6-dichloropyrido[3,4-d]pyrimidine is Clc1cc2c(Cl)ncnc2cn1.
What is the InChIKey of 4,6-dichloropyrido[3,4-d]pyrimidine?
The InChIKey is CKPNVNAKQGYUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3/c8-6-1-4-5(2-10-6)11-3-12-7(4)9/h1-3H.
What are the key properties of 4,6-dichloropyrido[3,4-d]pyrimidine?
4,6-dichloropyrido[3,4-d]pyrimidine has a molecular weight of 200.03 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 10821876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).