5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine

C10H11BrFN3 — CID 139423640

IUPAC5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine
SMILESCC(C)n1nc2c(F)cc(Br)cc2c1N
InChIInChI=1S/C10H11BrFN3/c1-5(2)15-10(13)7-3-6(11)4-8(12)9(7)14-15/h3-5H,13H2,1-2H3
InChIKeyQPMQDKXPMAYSGO-UHFFFAOYSA-N
MW272.12 g/mol
LogP3.10
Rot. Bonds1

About 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine

5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine (PubChem CID 139423640) has the molecular formula C10H11BrFN3 and a molecular weight of 272.12 g/mol. Its IUPAC name is 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine.

Molecular Properties

Compound Name5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine
PubChem CID139423640
Molecular FormulaC10H11BrFN3
Molecular Weight272.12 g/mol
Exact Mass271.01
IUPAC Name5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine
SMILESCC(C)n1nc2c(F)cc(Br)cc2c1N
InChIInChI=1S/C10H11BrFN3/c1-5(2)15-10(13)7-3-6(11)4-8(12)9(7)14-15/h3-5H,13H2,1-2H3
InChIKeyQPMQDKXPMAYSGO-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-1-methyl-1H-indazol-3-amine
CID 26369215
6-Bromo-1-methyl-1H-indazol-3-amine
CID 46835549
7-Bromo-1-methyl-1H-indazol-3-amine
CID 83911247
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
5-Bromo-3-fluoro-1-methyl-1H-indazole
CID 59514040
5-Bromo-3-ethyl-7-fluoro-2-methylindazole
CID 59514186
5-Bromo-3-fluoro-2-methylindazole
CID 59514191
5-Bromo-7-fluoro-2,3-dimethylindazole
CID 59514196
5-Bromo-3-ethyl-7-fluoro-1-methylindazole
CID 59514214

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine?
The IUPAC name of 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine (CID 139423640) is 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine.
What is the SMILES notation for 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine?
The canonical SMILES for 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine is CC(C)n1nc2c(F)cc(Br)cc2c1N.
What is the InChIKey of 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine?
The InChIKey is QPMQDKXPMAYSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3/c1-5(2)15-10(13)7-3-6(11)4-8(12)9(7)14-15/h3-5H,13H2,1-2H3.
What are the key properties of 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine?
5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine has a molecular weight of 272.12 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-2-propan-2-ylindazol-3-amine is sourced from PubChem (CID 139423640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).