6-chloro-4-fluoro-3-methyl-2H-indazole

C8H6ClFN2 — CID 89425145

IUPAC6-chloro-4-fluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2cc(Cl)cc(F)c12
InChIInChI=1S/C8H6ClFN2/c1-4-8-6(10)2-5(9)3-7(8)12-11-4/h2-3H,1H3,(H,11,12)
InChIKeyQAYUTNYALIZVOO-UHFFFAOYSA-N
MW184.60 g/mol
LogP2.66
Rot. Bonds

About 6-chloro-4-fluoro-3-methyl-2H-indazole

6-chloro-4-fluoro-3-methyl-2H-indazole (PubChem CID 89425145) has the molecular formula C8H6ClFN2 and a molecular weight of 184.60 g/mol. Its IUPAC name is 6-chloro-4-fluoro-3-methyl-2H-indazole.

Molecular Properties

Compound Name6-chloro-4-fluoro-3-methyl-2H-indazole
PubChem CID89425145
Molecular FormulaC8H6ClFN2
Molecular Weight184.60 g/mol
Exact Mass184.02
IUPAC Name6-chloro-4-fluoro-3-methyl-2H-indazole
SMILESCc1[nH]nc2cc(Cl)cc(F)c12
InChIInChI=1S/C8H6ClFN2/c1-4-8-6(10)2-5(9)3-7(8)12-11-4/h2-3H,1H3,(H,11,12)
InChIKeyQAYUTNYALIZVOO-UHFFFAOYSA-N
XLogP2.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-3-methyl-2H-indazole?
The IUPAC name of 6-chloro-4-fluoro-3-methyl-2H-indazole (CID 89425145) is 6-chloro-4-fluoro-3-methyl-2H-indazole.
What is the SMILES notation for 6-chloro-4-fluoro-3-methyl-2H-indazole?
The canonical SMILES for 6-chloro-4-fluoro-3-methyl-2H-indazole is Cc1[nH]nc2cc(Cl)cc(F)c12.
What is the InChIKey of 6-chloro-4-fluoro-3-methyl-2H-indazole?
The InChIKey is QAYUTNYALIZVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2/c1-4-8-6(10)2-5(9)3-7(8)12-11-4/h2-3H,1H3,(H,11,12).
What are the key properties of 6-chloro-4-fluoro-3-methyl-2H-indazole?
6-chloro-4-fluoro-3-methyl-2H-indazole has a molecular weight of 184.60 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-3-methyl-2H-indazole is sourced from PubChem (CID 89425145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).