6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole

C14H12BrN3 — CID 118664113

IUPAC6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole
SMILESCc1cccc(-n2ncc3cc(C)c(Br)cc32)n1
InChIInChI=1S/C14H12BrN3/c1-9-6-11-8-16-18(13(11)7-12(9)15)14-5-3-4-10(2)17-14/h3-8H,1-2H3
InChIKeySVKJAKSHVODTAV-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.80
Rot. Bonds1

About 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole

6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole (PubChem CID 118664113) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole
PubChem CID118664113
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole
SMILESCc1cccc(-n2ncc3cc(C)c(Br)cc32)n1
InChIInChI=1S/C14H12BrN3/c1-9-6-11-8-16-18(13(11)7-12(9)15)14-5-3-4-10(2)17-14/h3-8H,1-2H3
InChIKeySVKJAKSHVODTAV-UHFFFAOYSA-N
XLogP3.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole?
The IUPAC name of 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole (CID 118664113) is 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole.
What is the SMILES notation for 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole?
The canonical SMILES for 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole is Cc1cccc(-n2ncc3cc(C)c(Br)cc32)n1.
What is the InChIKey of 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole?
The InChIKey is SVKJAKSHVODTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-6-11-8-16-18(13(11)7-12(9)15)14-5-3-4-10(2)17-14/h3-8H,1-2H3.
What are the key properties of 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole?
6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole has a molecular weight of 302.18 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-1-(6-methyl-2-pyridinyl)indazole is sourced from PubChem (CID 118664113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).