5-bromo-4-chloro-3-fluoro-2-methylindazole

C8H5BrClFN2 — CID 164860407

IUPAC5-bromo-4-chloro-3-fluoro-2-methylindazole
SMILESCn1nc2ccc(Br)c(Cl)c2c1F
InChIInChI=1S/C8H5BrClFN2/c1-13-8(11)6-5(12-13)3-2-4(9)7(6)10/h2-3H,1H3
InChIKeyCAKLAFUXHAJDCO-UHFFFAOYSA-N
MW263.50 g/mol
LogP3.13
Rot. Bonds

About 5-bromo-4-chloro-3-fluoro-2-methylindazole

5-bromo-4-chloro-3-fluoro-2-methylindazole (PubChem CID 164860407) has the molecular formula C8H5BrClFN2 and a molecular weight of 263.50 g/mol. Its IUPAC name is 5-bromo-4-chloro-3-fluoro-2-methylindazole.

Molecular Properties

Compound Name5-bromo-4-chloro-3-fluoro-2-methylindazole
PubChem CID164860407
Molecular FormulaC8H5BrClFN2
Molecular Weight263.50 g/mol
Exact Mass261.93
IUPAC Name5-bromo-4-chloro-3-fluoro-2-methylindazole
SMILESCn1nc2ccc(Br)c(Cl)c2c1F
InChIInChI=1S/C8H5BrClFN2/c1-13-8(11)6-5(12-13)3-2-4(9)7(6)10/h2-3H,1H3
InChIKeyCAKLAFUXHAJDCO-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-3-fluoro-2-methylindazole?
The IUPAC name of 5-bromo-4-chloro-3-fluoro-2-methylindazole (CID 164860407) is 5-bromo-4-chloro-3-fluoro-2-methylindazole.
What is the SMILES notation for 5-bromo-4-chloro-3-fluoro-2-methylindazole?
The canonical SMILES for 5-bromo-4-chloro-3-fluoro-2-methylindazole is Cn1nc2ccc(Br)c(Cl)c2c1F.
What is the InChIKey of 5-bromo-4-chloro-3-fluoro-2-methylindazole?
The InChIKey is CAKLAFUXHAJDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFN2/c1-13-8(11)6-5(12-13)3-2-4(9)7(6)10/h2-3H,1H3.
What are the key properties of 5-bromo-4-chloro-3-fluoro-2-methylindazole?
5-bromo-4-chloro-3-fluoro-2-methylindazole has a molecular weight of 263.50 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-3-fluoro-2-methylindazole is sourced from PubChem (CID 164860407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).