2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine

C10H11BrFN3 — CID 84730122

IUPAC2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine
SMILESCNCCn1nc2c(F)cccc2c1Br
InChIInChI=1S/C10H11BrFN3/c1-13-5-6-15-10(11)7-3-2-4-8(12)9(7)14-15/h2-4,13H,5-6H2,1H3
InChIKeyOEPRDPNEGHRFLB-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.16
Rot. Bonds3

About 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine

2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine (PubChem CID 84730122) has the molecular formula C10H11BrFN3 and a molecular weight of 272.12 g/mol. Its IUPAC name is 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine
PubChem CID84730122
Molecular FormulaC10H11BrFN3
Molecular Weight272.12 g/mol
Exact Mass271.01
IUPAC Name2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine
SMILESCNCCn1nc2c(F)cccc2c1Br
InChIInChI=1S/C10H11BrFN3/c1-13-5-6-15-10(11)7-3-2-4-8(12)9(7)14-15/h2-4,13H,5-6H2,1H3
InChIKeyOEPRDPNEGHRFLB-UHFFFAOYSA-N
XLogP2.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine (CID 84730122) is 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine is CNCCn1nc2c(F)cccc2c1Br.
What is the InChIKey of 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine?
The InChIKey is OEPRDPNEGHRFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3/c1-13-5-6-15-10(11)7-3-2-4-8(12)9(7)14-15/h2-4,13H,5-6H2,1H3.
What are the key properties of 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine?
2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine has a molecular weight of 272.12 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-7-fluoroindazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 84730122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).