7-bromo-1-methylindazole

C8H7BrN2 — CID 21094563

IUPAC7-bromo-1-methylindazole
SMILESCn1ncc2cccc(Br)c21
InChIInChI=1S/C8H7BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,1H3
InChIKeyJPFIGGYULRKROG-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.34
Rot. Bonds

About 7-bromo-1-methylindazole

7-bromo-1-methylindazole (PubChem CID 21094563) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 7-bromo-1-methylindazole.

Molecular Properties

Compound Name7-bromo-1-methylindazole
PubChem CID21094563
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name7-bromo-1-methylindazole
SMILESCn1ncc2cccc(Br)c21
InChIInChI=1S/C8H7BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,1H3
InChIKeyJPFIGGYULRKROG-UHFFFAOYSA-N
XLogP2.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methylindazole?
The IUPAC name of 7-bromo-1-methylindazole (CID 21094563) is 7-bromo-1-methylindazole.
What is the SMILES notation for 7-bromo-1-methylindazole?
The canonical SMILES for 7-bromo-1-methylindazole is Cn1ncc2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-methylindazole?
The InChIKey is JPFIGGYULRKROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,1H3.
What are the key properties of 7-bromo-1-methylindazole?
7-bromo-1-methylindazole has a molecular weight of 211.06 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methylindazole is sourced from PubChem (CID 21094563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).