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

C12H9BrN4 — CID 118664421

IUPAC6-bromo-1-(4-methylpyrimidin-2-yl)indazole
SMILESCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C12H9BrN4/c1-8-4-5-14-12(16-8)17-11-6-10(13)3-2-9(11)7-15-17/h2-7H,1H3
InChIKeyGTYGOVVKSKHGIZ-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.89
Rot. Bonds1

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

6-bromo-1-(4-methylpyrimidin-2-yl)indazole (PubChem CID 118664421) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 6-bromo-1-(4-methylpyrimidin-2-yl)indazole.

Molecular Properties

Compound Name6-bromo-1-(4-methylpyrimidin-2-yl)indazole
PubChem CID118664421
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name6-bromo-1-(4-methylpyrimidin-2-yl)indazole
SMILESCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C12H9BrN4/c1-8-4-5-14-12(16-8)17-11-6-10(13)3-2-9(11)7-15-17/h2-7H,1H3
InChIKeyGTYGOVVKSKHGIZ-UHFFFAOYSA-N
XLogP2.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.89
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-methylpyrimidin-2-yl)indazole?
The IUPAC name of 6-bromo-1-(4-methylpyrimidin-2-yl)indazole (CID 118664421) is 6-bromo-1-(4-methylpyrimidin-2-yl)indazole.
What is the SMILES notation for 6-bromo-1-(4-methylpyrimidin-2-yl)indazole?
The canonical SMILES for 6-bromo-1-(4-methylpyrimidin-2-yl)indazole is Cc1ccnc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-(4-methylpyrimidin-2-yl)indazole?
The InChIKey is GTYGOVVKSKHGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c1-8-4-5-14-12(16-8)17-11-6-10(13)3-2-9(11)7-15-17/h2-7H,1H3.
What are the key properties of 6-bromo-1-(4-methylpyrimidin-2-yl)indazole?
6-bromo-1-(4-methylpyrimidin-2-yl)indazole has a molecular weight of 289.14 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-methylpyrimidin-2-yl)indazole is sourced from PubChem (CID 118664421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).