2-(6-bromoindazol-2-yl)-N-methylethanamine

C10H12BrN3 — CID 84729159

IUPAC2-(6-bromoindazol-2-yl)-N-methylethanamine
SMILESCNCCn1cc2ccc(Br)cc2n1
InChIInChI=1S/C10H12BrN3/c1-12-4-5-14-7-8-2-3-9(11)6-10(8)13-14/h2-3,6-7,12H,4-5H2,1H3
InChIKeyPASGJGPQSCBOTF-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.02
Rot. Bonds3

About 2-(6-bromoindazol-2-yl)-N-methylethanamine

2-(6-bromoindazol-2-yl)-N-methylethanamine (PubChem CID 84729159) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(6-bromoindazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(6-bromoindazol-2-yl)-N-methylethanamine
PubChem CID84729159
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name2-(6-bromoindazol-2-yl)-N-methylethanamine
SMILESCNCCn1cc2ccc(Br)cc2n1
InChIInChI=1S/C10H12BrN3/c1-12-4-5-14-7-8-2-3-9(11)6-10(8)13-14/h2-3,6-7,12H,4-5H2,1H3
InChIKeyPASGJGPQSCBOTF-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(6-bromoindazol-2-yl)-N-methylethanamine (CID 84729159) is 2-(6-bromoindazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(6-bromoindazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(6-bromoindazol-2-yl)-N-methylethanamine is CNCCn1cc2ccc(Br)cc2n1.
What is the InChIKey of 2-(6-bromoindazol-2-yl)-N-methylethanamine?
The InChIKey is PASGJGPQSCBOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-12-4-5-14-7-8-2-3-9(11)6-10(8)13-14/h2-3,6-7,12H,4-5H2,1H3.
What are the key properties of 2-(6-bromoindazol-2-yl)-N-methylethanamine?
2-(6-bromoindazol-2-yl)-N-methylethanamine has a molecular weight of 254.13 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84729159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).