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

C8H7BrClN3 — CID 90376493

IUPAC7-bromo-4-chloro-1-methylindazol-3-amine
SMILESCn1nc(N)c2c(Cl)ccc(Br)c21
InChIInChI=1S/C8H7BrClN3/c1-13-7-4(9)2-3-5(10)6(7)8(11)12-13/h2-3H,1H3,(H2,11,12)
InChIKeyJKVZDIFRPVCPJI-UHFFFAOYSA-N
MW260.52 g/mol
LogP2.57
Rot. Bonds

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

7-bromo-4-chloro-1-methylindazol-3-amine (PubChem CID 90376493) has the molecular formula C8H7BrClN3 and a molecular weight of 260.52 g/mol. Its IUPAC name is 7-bromo-4-chloro-1-methylindazol-3-amine.

Molecular Properties

Compound Name7-bromo-4-chloro-1-methylindazol-3-amine
PubChem CID90376493
Molecular FormulaC8H7BrClN3
Molecular Weight260.52 g/mol
Exact Mass258.95
IUPAC Name7-bromo-4-chloro-1-methylindazol-3-amine
SMILESCn1nc(N)c2c(Cl)ccc(Br)c21
InChIInChI=1S/C8H7BrClN3/c1-13-7-4(9)2-3-5(10)6(7)8(11)12-13/h2-3H,1H3,(H2,11,12)
InChIKeyJKVZDIFRPVCPJI-UHFFFAOYSA-N
XLogP2.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-1-methylindazol-3-amine?
The IUPAC name of 7-bromo-4-chloro-1-methylindazol-3-amine (CID 90376493) is 7-bromo-4-chloro-1-methylindazol-3-amine.
What is the SMILES notation for 7-bromo-4-chloro-1-methylindazol-3-amine?
The canonical SMILES for 7-bromo-4-chloro-1-methylindazol-3-amine is Cn1nc(N)c2c(Cl)ccc(Br)c21.
What is the InChIKey of 7-bromo-4-chloro-1-methylindazol-3-amine?
The InChIKey is JKVZDIFRPVCPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN3/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-chloro-1-methylindazol-3-amine?
7-bromo-4-chloro-1-methylindazol-3-amine has a molecular weight of 260.52 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-1-methylindazol-3-amine is sourced from PubChem (CID 90376493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).