7-bromo-4-fluoro-1-methylindazol-3-amine

C8H7BrFN3 — CID 90376533

IUPAC7-bromo-4-fluoro-1-methylindazol-3-amine
SMILESCn1nc(N)c2c(F)ccc(Br)c21
InChIInChI=1S/C8H7BrFN3/c1-13-7-4(9)2-3-5(10)6(7)8(11)12-13/h2-3H,1H3,(H2,11,12)
InChIKeyGBEZQSYUSLLSOY-UHFFFAOYSA-N
MW244.07 g/mol
LogP2.06
Rot. Bonds

About 7-bromo-4-fluoro-1-methylindazol-3-amine

7-bromo-4-fluoro-1-methylindazol-3-amine (PubChem CID 90376533) has the molecular formula C8H7BrFN3 and a molecular weight of 244.07 g/mol. Its IUPAC name is 7-bromo-4-fluoro-1-methylindazol-3-amine.

Molecular Properties

Compound Name7-bromo-4-fluoro-1-methylindazol-3-amine
PubChem CID90376533
Molecular FormulaC8H7BrFN3
Molecular Weight244.07 g/mol
Exact Mass242.98
IUPAC Name7-bromo-4-fluoro-1-methylindazol-3-amine
SMILESCn1nc(N)c2c(F)ccc(Br)c21
InChIInChI=1S/C8H7BrFN3/c1-13-7-4(9)2-3-5(10)6(7)8(11)12-13/h2-3H,1H3,(H2,11,12)
InChIKeyGBEZQSYUSLLSOY-UHFFFAOYSA-N
XLogP2.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.07
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-indazol-3-amine
CID 12291317
7-Bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-amine
CID 134262960
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
7-bromo-1-methyl-1H-indazole
CID 21094563
7-bromo-2-methyl-2H-indazole
CID 21094580
5-Bromo-1-methyl-1H-indazol-3-amine
CID 26369215
6-Bromo-1-methyl-1H-indazol-3-amine
CID 46835549
3-Bromo-7-fluoro-1-methyl-1H-indazole
CID 83840137
7-Bromo-1-methyl-1H-indazol-3-amine
CID 83911247
7-Bromo-4-chloro-1-methyl-1H-indazol-3-amine
CID 90376493

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-1-methylindazol-3-amine?
The IUPAC name of 7-bromo-4-fluoro-1-methylindazol-3-amine (CID 90376533) is 7-bromo-4-fluoro-1-methylindazol-3-amine.
What is the SMILES notation for 7-bromo-4-fluoro-1-methylindazol-3-amine?
The canonical SMILES for 7-bromo-4-fluoro-1-methylindazol-3-amine is Cn1nc(N)c2c(F)ccc(Br)c21.
What is the InChIKey of 7-bromo-4-fluoro-1-methylindazol-3-amine?
The InChIKey is GBEZQSYUSLLSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN3/c1-13-7-4(9)2-3-5(10)6(7)8(11)12-13/h2-3H,1H3,(H2,11,12).
What are the key properties of 7-bromo-4-fluoro-1-methylindazol-3-amine?
7-bromo-4-fluoro-1-methylindazol-3-amine has a molecular weight of 244.07 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-1-methylindazol-3-amine is sourced from PubChem (CID 90376533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).