5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine

C7H5BrClN3 — CID 66545160

IUPAC5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1cc(Br)c2c(Cl)ncnc21
InChIInChI=1S/C7H5BrClN3/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3
InChIKeyQGPYXNYRUAFOHC-UHFFFAOYSA-N
MW246.50 g/mol
LogP2.38
Rot. Bonds

About 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine

5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 66545160) has the molecular formula C7H5BrClN3 and a molecular weight of 246.50 g/mol. Its IUPAC name is 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine
PubChem CID66545160
Molecular FormulaC7H5BrClN3
Molecular Weight246.50 g/mol
Exact Mass244.94
IUPAC Name5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine
SMILESCn1cc(Br)c2c(Cl)ncnc21
InChIInChI=1S/C7H5BrClN3/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3
InChIKeyQGPYXNYRUAFOHC-UHFFFAOYSA-N
XLogP2.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.50
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine (CID 66545160) is 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine is Cn1cc(Br)c2c(Cl)ncnc21.
What is the InChIKey of 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is QGPYXNYRUAFOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3/c1-12-2-4(8)5-6(9)10-3-11-7(5)12/h2-3H,1H3.
What are the key properties of 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine?
5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 246.50 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-7-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 66545160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).