7-bromo-3,4,5,6-tetramethyl-2H-indazole

C11H13BrN2 — CID 151314645

IUPAC7-bromo-3,4,5,6-tetramethyl-2H-indazole
SMILESCc1c(C)c(C)c2c(C)[nH]nc2c1Br
InChIInChI=1S/C11H13BrN2/c1-5-6(2)9-8(4)13-14-11(9)10(12)7(5)3/h1-4H3,(H,13,14)
InChIKeyOFDPAMKERLMONL-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.56
Rot. Bonds

About 7-bromo-3,4,5,6-tetramethyl-2H-indazole

7-bromo-3,4,5,6-tetramethyl-2H-indazole (PubChem CID 151314645) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 7-bromo-3,4,5,6-tetramethyl-2H-indazole.

Molecular Properties

Compound Name7-bromo-3,4,5,6-tetramethyl-2H-indazole
PubChem CID151314645
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name7-bromo-3,4,5,6-tetramethyl-2H-indazole
SMILESCc1c(C)c(C)c2c(C)[nH]nc2c1Br
InChIInChI=1S/C11H13BrN2/c1-5-6(2)9-8(4)13-14-11(9)10(12)7(5)3/h1-4H3,(H,13,14)
InChIKeyOFDPAMKERLMONL-UHFFFAOYSA-N
XLogP3.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,4,5,6-tetramethyl-2H-indazole?
The IUPAC name of 7-bromo-3,4,5,6-tetramethyl-2H-indazole (CID 151314645) is 7-bromo-3,4,5,6-tetramethyl-2H-indazole.
What is the SMILES notation for 7-bromo-3,4,5,6-tetramethyl-2H-indazole?
The canonical SMILES for 7-bromo-3,4,5,6-tetramethyl-2H-indazole is Cc1c(C)c(C)c2c(C)[nH]nc2c1Br.
What is the InChIKey of 7-bromo-3,4,5,6-tetramethyl-2H-indazole?
The InChIKey is OFDPAMKERLMONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-5-6(2)9-8(4)13-14-11(9)10(12)7(5)3/h1-4H3,(H,13,14).
What are the key properties of 7-bromo-3,4,5,6-tetramethyl-2H-indazole?
7-bromo-3,4,5,6-tetramethyl-2H-indazole has a molecular weight of 253.14 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,4,5,6-tetramethyl-2H-indazole is sourced from PubChem (CID 151314645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).