6-chloro-4-fluoro-3,5-dimethyl-2H-indazole

C9H8ClFN2 — CID 176567059

IUPAC6-chloro-4-fluoro-3,5-dimethyl-2H-indazole
SMILESCc1c(Cl)cc2n[nH]c(C)c2c1F
InChIInChI=1S/C9H8ClFN2/c1-4-6(10)3-7-8(9(4)11)5(2)12-13-7/h3H,1-2H3,(H,12,13)
InChIKeyFMHWJXKTONDLKG-UHFFFAOYSA-N
MW198.63 g/mol
LogP2.97
Rot. Bonds

About 6-chloro-4-fluoro-3,5-dimethyl-2H-indazole

6-chloro-4-fluoro-3,5-dimethyl-2H-indazole (PubChem CID 176567059) has the molecular formula C9H8ClFN2 and a molecular weight of 198.63 g/mol. Its IUPAC name is 6-chloro-4-fluoro-3,5-dimethyl-2H-indazole.

Molecular Properties

Compound Name6-chloro-4-fluoro-3,5-dimethyl-2H-indazole
PubChem CID176567059
Molecular FormulaC9H8ClFN2
Molecular Weight198.63 g/mol
Exact Mass198.04
IUPAC Name6-chloro-4-fluoro-3,5-dimethyl-2H-indazole
SMILESCc1c(Cl)cc2n[nH]c(C)c2c1F
InChIInChI=1S/C9H8ClFN2/c1-4-6(10)3-7-8(9(4)11)5(2)12-13-7/h3H,1-2H3,(H,12,13)
InChIKeyFMHWJXKTONDLKG-UHFFFAOYSA-N
XLogP2.97
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.97
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-3,5-dimethyl-2H-indazole?
The IUPAC name of 6-chloro-4-fluoro-3,5-dimethyl-2H-indazole (CID 176567059) is 6-chloro-4-fluoro-3,5-dimethyl-2H-indazole.
What is the SMILES notation for 6-chloro-4-fluoro-3,5-dimethyl-2H-indazole?
The canonical SMILES for 6-chloro-4-fluoro-3,5-dimethyl-2H-indazole is Cc1c(Cl)cc2n[nH]c(C)c2c1F.
What is the InChIKey of 6-chloro-4-fluoro-3,5-dimethyl-2H-indazole?
The InChIKey is FMHWJXKTONDLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2/c1-4-6(10)3-7-8(9(4)11)5(2)12-13-7/h3H,1-2H3,(H,12,13).
What are the key properties of 6-chloro-4-fluoro-3,5-dimethyl-2H-indazole?
6-chloro-4-fluoro-3,5-dimethyl-2H-indazole has a molecular weight of 198.63 g/mol, XLogP of 2.97, 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-3,5-dimethyl-2H-indazole is sourced from PubChem (CID 176567059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).