5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine

C7H2BrCl2N3 — CID 135392628

IUPAC5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(Br)cncc2n1
InChIInChI=1S/C7H2BrCl2N3/c8-3-1-11-2-4-5(3)6(9)13-7(10)12-4/h1-2H
InChIKeyHIKSBBGIMKDHEP-UHFFFAOYSA-N
MW278.92 g/mol
LogP3.09
Rot. Bonds

About 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine

5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine (PubChem CID 135392628) has the molecular formula C7H2BrCl2N3 and a molecular weight of 278.92 g/mol. Its IUPAC name is 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine
PubChem CID135392628
Molecular FormulaC7H2BrCl2N3
Molecular Weight278.92 g/mol
Exact Mass276.88
IUPAC Name5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(Br)cncc2n1
InChIInChI=1S/C7H2BrCl2N3/c8-3-1-11-2-4-5(3)6(9)13-7(10)12-4/h1-2H
InChIKeyHIKSBBGIMKDHEP-UHFFFAOYSA-N
XLogP3.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.92
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine?
The IUPAC name of 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine (CID 135392628) is 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine?
The canonical SMILES for 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine is Clc1nc(Cl)c2c(Br)cncc2n1.
What is the InChIKey of 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine?
The InChIKey is HIKSBBGIMKDHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrCl2N3/c8-3-1-11-2-4-5(3)6(9)13-7(10)12-4/h1-2H.
What are the key properties of 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine?
5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine has a molecular weight of 278.92 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 135392628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).