7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine

C10H10BrF2N3 — CID 90376372

IUPAC7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine
SMILESCn1nc(NCC(F)F)c2cccc(Br)c21
InChIInChI=1S/C10H10BrF2N3/c1-16-9-6(3-2-4-7(9)11)10(15-16)14-5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyGUNXNUDWHQGMPC-UHFFFAOYSA-N
MW290.11 g/mol
LogP3.01
Rot. Bonds3

About 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine

7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine (PubChem CID 90376372) has the molecular formula C10H10BrF2N3 and a molecular weight of 290.11 g/mol. Its IUPAC name is 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine.

Molecular Properties

Compound Name7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine
PubChem CID90376372
Molecular FormulaC10H10BrF2N3
Molecular Weight290.11 g/mol
Exact Mass289.00
IUPAC Name7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine
SMILESCn1nc(NCC(F)F)c2cccc(Br)c21
InChIInChI=1S/C10H10BrF2N3/c1-16-9-6(3-2-4-7(9)11)10(15-16)14-5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyGUNXNUDWHQGMPC-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine
CID 134262960
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-(4-Bromophenyl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4773101
6-bromo-2-(2-fluorobenzyl)-2H-indazol-3-amine
CID 58529659
N-(2-bromo-6-methylphenyl)-4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-amine
CID 66613240
7-Bromo-3-(difluoromethyl)-1-methylindazole
CID 84710337
N-(7-bromo-1-methyl-1H-indazol-3-yl)-N-(2,2-difluoroethyl)-2,2,2-trifluoroacetamide
CID 90376103
N-(7-bromo-1-methyl-1H-indazol-3-yl)-2,2,2-trifluoro-N-methylacetamide
CID 90376416
7-bromo-4-fluoro-1-methyl-1H-indazol-3-amine
CID 90376533
N-(7-bromo-4-fluoro-1-methyl-1H-indazol-3-yl)methanesulfonamide
CID 90376560

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine?
The IUPAC name of 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine (CID 90376372) is 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine.
What is the SMILES notation for 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine?
The canonical SMILES for 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine is Cn1nc(NCC(F)F)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine?
The InChIKey is GUNXNUDWHQGMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3/c1-16-9-6(3-2-4-7(9)11)10(15-16)14-5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15).
What are the key properties of 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine?
7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine has a molecular weight of 290.11 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2,2-difluoroethyl)-1-methylindazol-3-amine is sourced from PubChem (CID 90376372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).