2-(7-bromo-3-methylindazol-2-yl)ethanamine

C10H12BrN3 — CID 84729164

IUPAC2-(7-bromo-3-methylindazol-2-yl)ethanamine
SMILESCc1c2cccc(Br)c2nn1CCN
InChIInChI=1S/C10H12BrN3/c1-7-8-3-2-4-9(11)10(8)13-14(7)6-5-12/h2-4H,5-6,12H2,1H3
InChIKeyVJRQMIWVWBHVQR-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.07
Rot. Bonds2

About 2-(7-bromo-3-methylindazol-2-yl)ethanamine

2-(7-bromo-3-methylindazol-2-yl)ethanamine (PubChem CID 84729164) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(7-bromo-3-methylindazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-3-methylindazol-2-yl)ethanamine
PubChem CID84729164
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name2-(7-bromo-3-methylindazol-2-yl)ethanamine
SMILESCc1c2cccc(Br)c2nn1CCN
InChIInChI=1S/C10H12BrN3/c1-7-8-3-2-4-9(11)10(8)13-14(7)6-5-12/h2-4H,5-6,12H2,1H3
InChIKeyVJRQMIWVWBHVQR-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-3-methylindazol-2-yl)ethanamine?
The IUPAC name of 2-(7-bromo-3-methylindazol-2-yl)ethanamine (CID 84729164) is 2-(7-bromo-3-methylindazol-2-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-3-methylindazol-2-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-3-methylindazol-2-yl)ethanamine is Cc1c2cccc(Br)c2nn1CCN.
What is the InChIKey of 2-(7-bromo-3-methylindazol-2-yl)ethanamine?
The InChIKey is VJRQMIWVWBHVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7-8-3-2-4-9(11)10(8)13-14(7)6-5-12/h2-4H,5-6,12H2,1H3.
What are the key properties of 2-(7-bromo-3-methylindazol-2-yl)ethanamine?
2-(7-bromo-3-methylindazol-2-yl)ethanamine has a molecular weight of 254.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-3-methylindazol-2-yl)ethanamine is sourced from PubChem (CID 84729164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).