7-bromo-2-methylindazole;ethane

C10H13BrN2 — CID 155591280

IUPAC7-bromo-2-methylindazole;ethane
SMILESCC.Cn1cc2cccc(Br)c2n1
InChIInChI=1S/C8H7BrN2.C2H6/c1-11-5-6-3-2-4-7(9)8(6)10-11;1-2/h2-5H,1H3;1-2H3
InChIKeyBGBQUIRTCGVNSV-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.36
Rot. Bonds

About 7-bromo-2-methylindazole;ethane

7-bromo-2-methylindazole;ethane (PubChem CID 155591280) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 7-bromo-2-methylindazole;ethane.

Molecular Properties

Compound Name7-bromo-2-methylindazole;ethane
PubChem CID155591280
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name7-bromo-2-methylindazole;ethane
SMILESCC.Cn1cc2cccc(Br)c2n1
InChIInChI=1S/C8H7BrN2.C2H6/c1-11-5-6-3-2-4-7(9)8(6)10-11;1-2/h2-5H,1H3;1-2H3
InChIKeyBGBQUIRTCGVNSV-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylindazole;ethane?
The IUPAC name of 7-bromo-2-methylindazole;ethane (CID 155591280) is 7-bromo-2-methylindazole;ethane.
What is the SMILES notation for 7-bromo-2-methylindazole;ethane?
The canonical SMILES for 7-bromo-2-methylindazole;ethane is CC.Cn1cc2cccc(Br)c2n1.
What is the InChIKey of 7-bromo-2-methylindazole;ethane?
The InChIKey is BGBQUIRTCGVNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2.C2H6/c1-11-5-6-3-2-4-7(9)8(6)10-11;1-2/h2-5H,1H3;1-2H3.
What are the key properties of 7-bromo-2-methylindazole;ethane?
7-bromo-2-methylindazole;ethane has a molecular weight of 241.13 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylindazole;ethane is sourced from PubChem (CID 155591280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).