6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine

C6H2BrCl2N3 — CID 25231165

IUPAC6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2cc(Br)[nH]c2n1
InChIInChI=1S/C6H2BrCl2N3/c7-3-1-2-4(8)11-6(9)12-5(2)10-3/h1H,(H,10,11,12)
InChIKeyQFWRTHITCIOTSI-UHFFFAOYSA-N
MW266.91 g/mol
LogP3.03
Rot. Bonds

About 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine

6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 25231165) has the molecular formula C6H2BrCl2N3 and a molecular weight of 266.91 g/mol. Its IUPAC name is 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID25231165
Molecular FormulaC6H2BrCl2N3
Molecular Weight266.91 g/mol
Exact Mass264.88
IUPAC Name6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2cc(Br)[nH]c2n1
InChIInChI=1S/C6H2BrCl2N3/c7-3-1-2-4(8)11-6(9)12-5(2)10-3/h1H,(H,10,11,12)
InChIKeyQFWRTHITCIOTSI-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.91
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine (CID 25231165) is 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine is Clc1nc(Cl)c2cc(Br)[nH]c2n1.
What is the InChIKey of 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is QFWRTHITCIOTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2N3/c7-3-1-2-4(8)11-6(9)12-5(2)10-3/h1H,(H,10,11,12).
What are the key properties of 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine?
6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 266.91 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 25231165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).