7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid

C7H3BrClN3O2 — CID 175332048

IUPAC7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid
SMILESO=C(O)n1cc(Br)c2ncnc(Cl)c21
InChIInChI=1S/C7H3BrClN3O2/c8-3-1-12(7(13)14)5-4(3)10-2-11-6(5)9/h1-2H,(H,13,14)
InChIKeyCVKZNCRCTURNRX-UHFFFAOYSA-N
MW276.48 g/mol
LogP2.37
Rot. Bonds

About 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid

7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid (PubChem CID 175332048) has the molecular formula C7H3BrClN3O2 and a molecular weight of 276.48 g/mol. Its IUPAC name is 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid
PubChem CID175332048
Molecular FormulaC7H3BrClN3O2
Molecular Weight276.48 g/mol
Exact Mass274.91
IUPAC Name7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid
SMILESO=C(O)n1cc(Br)c2ncnc(Cl)c21
InChIInChI=1S/C7H3BrClN3O2/c8-3-1-12(7(13)14)5-4(3)10-2-11-6(5)9/h1-2H,(H,13,14)
InChIKeyCVKZNCRCTURNRX-UHFFFAOYSA-N
XLogP2.37
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid (CID 175332048) is 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid is O=C(O)n1cc(Br)c2ncnc(Cl)c21.
What is the InChIKey of 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid?
The InChIKey is CVKZNCRCTURNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN3O2/c8-3-1-12(7(13)14)5-4(3)10-2-11-6(5)9/h1-2H,(H,13,14).
What are the key properties of 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid?
7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid has a molecular weight of 276.48 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloropyrrolo[3,2-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 175332048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).