bis(5-bromo-1H-indazole);methane

C15H14Br2N4 — CID 159594803

IUPACbis(5-bromo-1H-indazole);methane
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccc2[nH]ncc2c1.C
InChIInChI=1S/2C7H5BrN2.CH4/c2*8-6-1-2-7-5(3-6)4-9-10-7;/h2*1-4H,(H,9,10);1H4
InChIKeyMKRVMEHWCUURAE-UHFFFAOYSA-N
MW410.11 g/mol
LogP5.29
Rot. Bonds

About bis(5-bromo-1H-indazole);methane

bis(5-bromo-1H-indazole);methane (PubChem CID 159594803) has the molecular formula C15H14Br2N4 and a molecular weight of 410.11 g/mol. Its IUPAC name is bis(5-bromo-1H-indazole);methane.

Molecular Properties

Compound Namebis(5-bromo-1H-indazole);methane
PubChem CID159594803
Molecular FormulaC15H14Br2N4
Molecular Weight410.11 g/mol
Exact Mass407.96
IUPAC Namebis(5-bromo-1H-indazole);methane
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccc2[nH]ncc2c1.C
InChIInChI=1S/2C7H5BrN2.CH4/c2*8-6-1-2-7-5(3-6)4-9-10-7;/h2*1-4H,(H,9,10);1H4
InChIKeyMKRVMEHWCUURAE-UHFFFAOYSA-N
XLogP5.29
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.11
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1H-indazole
CID 761929
6-Bromo-1H-indazole
CID 17842471
4-bromo-1H-indazole
CID 22352548
5-Bromo-7-methyl-1H-indazole
CID 1382033
It-139
CID 25134754
7-Bromo-1H-indazole
CID 20323899
5-Bromo-3-phenyl-1H-indazole
CID 623415
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
5-Bromo-3-methyl-1H-indazole
CID 22558740
5-Bromo-7-iodo-1H-indazole
CID 59024218
5-bromo-7-ethyl-1H-indazole
CID 21102195
4-Bromo-6-methyl-1H-indazole
CID 24728801

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-1H-indazole);methane?
The IUPAC name of bis(5-bromo-1H-indazole);methane (CID 159594803) is bis(5-bromo-1H-indazole);methane.
What is the SMILES notation for bis(5-bromo-1H-indazole);methane?
The canonical SMILES for bis(5-bromo-1H-indazole);methane is Brc1ccc2[nH]ncc2c1.Brc1ccc2[nH]ncc2c1.C.
What is the InChIKey of bis(5-bromo-1H-indazole);methane?
The InChIKey is MKRVMEHWCUURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5BrN2.CH4/c2*8-6-1-2-7-5(3-6)4-9-10-7;/h2*1-4H,(H,9,10);1H4.
What are the key properties of bis(5-bromo-1H-indazole);methane?
bis(5-bromo-1H-indazole);methane has a molecular weight of 410.11 g/mol, XLogP of 5.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-bromo-1H-indazole);methane is sourced from PubChem (CID 159594803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).