7-bromo-6-fluoro-2-methylindazol-5-amine

C8H7BrFN3 — CID 171792771

IUPAC7-bromo-6-fluoro-2-methylindazol-5-amine
SMILESCn1cc2cc(N)c(F)c(Br)c2n1
InChIInChI=1S/C8H7BrFN3/c1-13-3-4-2-5(11)7(10)6(9)8(4)12-13/h2-3H,11H2,1H3
InChIKeyZNOVQQSUIVRMCL-UHFFFAOYSA-N
MW244.07 g/mol
LogP2.06
Rot. Bonds

About 7-bromo-6-fluoro-2-methylindazol-5-amine

7-bromo-6-fluoro-2-methylindazol-5-amine (PubChem CID 171792771) has the molecular formula C8H7BrFN3 and a molecular weight of 244.07 g/mol. Its IUPAC name is 7-bromo-6-fluoro-2-methylindazol-5-amine.

Molecular Properties

Compound Name7-bromo-6-fluoro-2-methylindazol-5-amine
PubChem CID171792771
Molecular FormulaC8H7BrFN3
Molecular Weight244.07 g/mol
Exact Mass242.98
IUPAC Name7-bromo-6-fluoro-2-methylindazol-5-amine
SMILESCn1cc2cc(N)c(F)c(Br)c2n1
InChIInChI=1S/C8H7BrFN3/c1-13-3-4-2-5(11)7(10)6(9)8(4)12-13/h2-3H,11H2,1H3
InChIKeyZNOVQQSUIVRMCL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-2-methylindazol-5-amine?
The IUPAC name of 7-bromo-6-fluoro-2-methylindazol-5-amine (CID 171792771) is 7-bromo-6-fluoro-2-methylindazol-5-amine.
What is the SMILES notation for 7-bromo-6-fluoro-2-methylindazol-5-amine?
The canonical SMILES for 7-bromo-6-fluoro-2-methylindazol-5-amine is Cn1cc2cc(N)c(F)c(Br)c2n1.
What is the InChIKey of 7-bromo-6-fluoro-2-methylindazol-5-amine?
The InChIKey is ZNOVQQSUIVRMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN3/c1-13-3-4-2-5(11)7(10)6(9)8(4)12-13/h2-3H,11H2,1H3.
What are the key properties of 7-bromo-6-fluoro-2-methylindazol-5-amine?
7-bromo-6-fluoro-2-methylindazol-5-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-6-fluoro-2-methylindazol-5-amine is sourced from PubChem (CID 171792771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).