6-bromo-1-(4-ethylpyrimidin-2-yl)indazole

C13H11BrN4 — CID 130247692

IUPAC6-bromo-1-(4-ethylpyrimidin-2-yl)indazole
SMILESCCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H11BrN4/c1-2-11-5-6-15-13(17-11)18-12-7-10(14)4-3-9(12)8-16-18/h3-8H,2H2,1H3
InChIKeyGDKUEZYGZNLXKU-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.14
Rot. Bonds2

About 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole

6-bromo-1-(4-ethylpyrimidin-2-yl)indazole (PubChem CID 130247692) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole.

Molecular Properties

Compound Name6-bromo-1-(4-ethylpyrimidin-2-yl)indazole
PubChem CID130247692
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name6-bromo-1-(4-ethylpyrimidin-2-yl)indazole
SMILESCCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H11BrN4/c1-2-11-5-6-15-13(17-11)18-12-7-10(14)4-3-9(12)8-16-18/h3-8H,2H2,1H3
InChIKeyGDKUEZYGZNLXKU-UHFFFAOYSA-N
XLogP3.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole?
The IUPAC name of 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole (CID 130247692) is 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole.
What is the SMILES notation for 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole?
The canonical SMILES for 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole is CCc1ccnc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole?
The InChIKey is GDKUEZYGZNLXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-2-11-5-6-15-13(17-11)18-12-7-10(14)4-3-9(12)8-16-18/h3-8H,2H2,1H3.
What are the key properties of 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole?
6-bromo-1-(4-ethylpyrimidin-2-yl)indazole has a molecular weight of 303.16 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-ethylpyrimidin-2-yl)indazole is sourced from PubChem (CID 130247692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).