2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine

C10H12BrN3 — CID 84729142

IUPAC2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine
SMILESCNCCc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C10H12BrN3/c1-12-5-4-10-8-6-7(11)2-3-9(8)13-14-10/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyDHGVNVUVTGPCHQ-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.09
Rot. Bonds3

About 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine

2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine (PubChem CID 84729142) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine
PubChem CID84729142
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine
SMILESCNCCc1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C10H12BrN3/c1-12-5-4-10-8-6-7(11)2-3-9(8)13-14-10/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyDHGVNVUVTGPCHQ-UHFFFAOYSA-N
XLogP2.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(fluoromethyl)-2H-indazole
CID 84692330
3-benzyl-5-bromo-2H-indazole
CID 66915538
5-bromo-3-iodo-2H-indazole
CID 23156224
ethyl 2-(5-bromo-2H-indazol-3-yl)acetate
CID 54553122
1-(6-bromo-2H-indazol-3-yl)-4-(methylamino)butane-1,2-diol
CID 171891347
5-bromo-3-fluoro-2H-indazole
CID 66793399
7-bromo-2-[2-(methylamino)ethyl]-3H-quinazolin-4-one
CID 136705321
5-bromo-3-methylsulfonyl-2H-indazole
CID 54229595
1-(5-bromo-2H-indazol-3-yl)-2-methylpropan-1-amine
CID 83913468
3-(5-bromo-3-methyl-1H-indol-2-yl)-N-methylpropan-1-amine
CID 84642820
2-[4-bromo-3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]-N-methylethanamine
CID 84605001
2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine
CID 104547190

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine (CID 84729142) is 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine is CNCCc1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine?
The InChIKey is DHGVNVUVTGPCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-12-5-4-10-8-6-7(11)2-3-9(8)13-14-10/h2-3,6,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine?
2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine has a molecular weight of 254.13 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 84729142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).