2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine

C10H12BrN3 — CID 83900891

IUPAC2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine
SMILESCNCCc1cc(Br)c2[nH]ncc2c1
InChIInChI=1S/C10H12BrN3/c1-12-3-2-7-4-8-6-13-14-10(8)9(11)5-7/h4-6,12H,2-3H2,1H3,(H,13,14)
InChIKeyVDNLTKZKTVLLPR-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.09
Rot. Bonds3

About 2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine

2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine (PubChem CID 83900891) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine
PubChem CID83900891
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine
SMILESCNCCc1cc(Br)c2[nH]ncc2c1
InChIInChI=1S/C10H12BrN3/c1-12-3-2-7-4-8-6-13-14-10(8)9(11)5-7/h4-6,12H,2-3H2,1H3,(H,13,14)
InChIKeyVDNLTKZKTVLLPR-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

N-(2-acetamidoethyl)-7-bromo-1H-indazole-5-carboxamide
CID 166309963
2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine
CID 83843675
2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine
CID 117445656
7-bromo-5-(trifluoromethoxy)-1H-indazole
CID 155973936
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine
CID 64866186
(7-methoxy-1H-indazol-5-yl)methanamine
CID 82599475
5-bromo-N,N-dimethyl-1H-indazol-7-amine
CID 150401097
5-bromo-7-methoxy-1H-indazole
CID 83669485
5-bromo-6-methyl-N-(oxan-4-yl)-1H-indazol-7-amine
CID 137484798
3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 59831836
N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
N-methyl-2-(4-methylisoquinolin-7-yl)ethanamine
CID 117289513

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine (CID 83900891) is 2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine is CNCCc1cc(Br)c2[nH]ncc2c1.
What is the InChIKey of 2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine?
The InChIKey is VDNLTKZKTVLLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-12-3-2-7-4-8-6-13-14-10(8)9(11)5-7/h4-6,12H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-(7-bromo-1H-indazol-5-yl)-N-methylethanamine?
2-(7-bromo-1H-indazol-5-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-(7-bromo-1H-indazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 83900891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).