5-bromo-2-ethyl-7-fluoroindazol-3-amine

C9H9BrFN3 — CID 139423664

IUPAC5-bromo-2-ethyl-7-fluoroindazol-3-amine
SMILESCCn1nc2c(F)cc(Br)cc2c1N
InChIInChI=1S/C9H9BrFN3/c1-2-14-9(12)6-3-5(10)4-7(11)8(6)13-14/h3-4H,2,12H2,1H3
InChIKeyIQKRDZUZTGNDQK-UHFFFAOYSA-N
MW258.09 g/mol
LogP2.54
Rot. Bonds1

About 5-bromo-2-ethyl-7-fluoroindazol-3-amine

5-bromo-2-ethyl-7-fluoroindazol-3-amine (PubChem CID 139423664) has the molecular formula C9H9BrFN3 and a molecular weight of 258.09 g/mol. Its IUPAC name is 5-bromo-2-ethyl-7-fluoroindazol-3-amine.

Molecular Properties

Compound Name5-bromo-2-ethyl-7-fluoroindazol-3-amine
PubChem CID139423664
Molecular FormulaC9H9BrFN3
Molecular Weight258.09 g/mol
Exact Mass257.00
IUPAC Name5-bromo-2-ethyl-7-fluoroindazol-3-amine
SMILESCCn1nc2c(F)cc(Br)cc2c1N
InChIInChI=1S/C9H9BrFN3/c1-2-14-9(12)6-3-5(10)4-7(11)8(6)13-14/h3-4H,2,12H2,1H3
InChIKeyIQKRDZUZTGNDQK-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.09
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-4-fluoro-1-methylindazole
CID 15239648
5-Fluoro-1-methyl-1H-indazol-3-amine
CID 15239649
6-Fluoro-1-methyl-1H-indazol-3-amine
CID 15239650
5-Bromo-1-methyl-1H-indazol-3-amine
CID 26369215
6-Bromo-1-methyl-1H-indazol-3-amine
CID 46835549
5-Bromo-6-fluoro-1-methyl-1H-indazole
CID 57917274
7-Bromo-1-methyl-1H-indazol-3-amine
CID 83911247
5-bromo-3-(1,1-difluoroethyl)-1-methyl-1H-indazole
CID 84714023
5-Amino-1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrazole-4-carbonitrile
CID 71857475
7-Fluoro-1-methyl-1H-indazol-3-amine
CID 15239651
6-bromo-2-(2-fluorobenzyl)-2H-indazol-3-amine
CID 58529659
5-bromo-6-fluoro-1,3-dimethyl-1H-indazole
CID 58834709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethyl-7-fluoroindazol-3-amine?
The IUPAC name of 5-bromo-2-ethyl-7-fluoroindazol-3-amine (CID 139423664) is 5-bromo-2-ethyl-7-fluoroindazol-3-amine.
What is the SMILES notation for 5-bromo-2-ethyl-7-fluoroindazol-3-amine?
The canonical SMILES for 5-bromo-2-ethyl-7-fluoroindazol-3-amine is CCn1nc2c(F)cc(Br)cc2c1N.
What is the InChIKey of 5-bromo-2-ethyl-7-fluoroindazol-3-amine?
The InChIKey is IQKRDZUZTGNDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN3/c1-2-14-9(12)6-3-5(10)4-7(11)8(6)13-14/h3-4H,2,12H2,1H3.
What are the key properties of 5-bromo-2-ethyl-7-fluoroindazol-3-amine?
5-bromo-2-ethyl-7-fluoroindazol-3-amine has a molecular weight of 258.09 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-7-fluoroindazol-3-amine is sourced from PubChem (CID 139423664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).