8-bromo-4-chloropyrido[4,3-d]pyrimidine

C7H3BrClN3 — CID 86675691

IUPAC8-bromo-4-chloropyrido[4,3-d]pyrimidine
SMILESClc1ncnc2c(Br)cncc12
InChIInChI=1S/C7H3BrClN3/c8-5-2-10-1-4-6(5)11-3-12-7(4)9/h1-3H
InChIKeyALCXAADGQYOYGK-UHFFFAOYSA-N
MW244.48 g/mol
LogP2.44
Rot. Bonds

About 8-bromo-4-chloropyrido[4,3-d]pyrimidine

8-bromo-4-chloropyrido[4,3-d]pyrimidine (PubChem CID 86675691) has the molecular formula C7H3BrClN3 and a molecular weight of 244.48 g/mol. Its IUPAC name is 8-bromo-4-chloropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name8-bromo-4-chloropyrido[4,3-d]pyrimidine
PubChem CID86675691
Molecular FormulaC7H3BrClN3
Molecular Weight244.48 g/mol
Exact Mass242.92
IUPAC Name8-bromo-4-chloropyrido[4,3-d]pyrimidine
SMILESClc1ncnc2c(Br)cncc12
InChIInChI=1S/C7H3BrClN3/c8-5-2-10-1-4-6(5)11-3-12-7(4)9/h1-3H
InChIKeyALCXAADGQYOYGK-UHFFFAOYSA-N
XLogP2.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloropyrido[4,3-d]pyrimidine?
The IUPAC name of 8-bromo-4-chloropyrido[4,3-d]pyrimidine (CID 86675691) is 8-bromo-4-chloropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 8-bromo-4-chloropyrido[4,3-d]pyrimidine?
The canonical SMILES for 8-bromo-4-chloropyrido[4,3-d]pyrimidine is Clc1ncnc2c(Br)cncc12.
What is the InChIKey of 8-bromo-4-chloropyrido[4,3-d]pyrimidine?
The InChIKey is ALCXAADGQYOYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN3/c8-5-2-10-1-4-6(5)11-3-12-7(4)9/h1-3H.
What are the key properties of 8-bromo-4-chloropyrido[4,3-d]pyrimidine?
8-bromo-4-chloropyrido[4,3-d]pyrimidine has a molecular weight of 244.48 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-chloropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 86675691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).