3-chloro-6-fluoro-5-methyl-2H-indazole

C8H6ClFN2 — CID 112706408

IUPAC3-chloro-6-fluoro-5-methyl-2H-indazole
SMILESCc1cc2c(Cl)[nH]nc2cc1F
InChIInChI=1S/C8H6ClFN2/c1-4-2-5-7(3-6(4)10)11-12-8(5)9/h2-3H,1H3,(H,11,12)
InChIKeyJWKPCMSIAGCLIU-UHFFFAOYSA-N
MW184.60 g/mol
LogP2.66
Rot. Bonds

About 3-chloro-6-fluoro-5-methyl-2H-indazole

3-chloro-6-fluoro-5-methyl-2H-indazole (PubChem CID 112706408) has the molecular formula C8H6ClFN2 and a molecular weight of 184.60 g/mol. Its IUPAC name is 3-chloro-6-fluoro-5-methyl-2H-indazole.

Molecular Properties

Compound Name3-chloro-6-fluoro-5-methyl-2H-indazole
PubChem CID112706408
Molecular FormulaC8H6ClFN2
Molecular Weight184.60 g/mol
Exact Mass184.02
IUPAC Name3-chloro-6-fluoro-5-methyl-2H-indazole
SMILESCc1cc2c(Cl)[nH]nc2cc1F
InChIInChI=1S/C8H6ClFN2/c1-4-2-5-7(3-6(4)10)11-12-8(5)9/h2-3H,1H3,(H,11,12)
InChIKeyJWKPCMSIAGCLIU-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 3-chloro-6-fluoro-5-methyl-2H-indazole?
The IUPAC name of 3-chloro-6-fluoro-5-methyl-2H-indazole (CID 112706408) is 3-chloro-6-fluoro-5-methyl-2H-indazole.
What is the SMILES notation for 3-chloro-6-fluoro-5-methyl-2H-indazole?
The canonical SMILES for 3-chloro-6-fluoro-5-methyl-2H-indazole is Cc1cc2c(Cl)[nH]nc2cc1F.
What is the InChIKey of 3-chloro-6-fluoro-5-methyl-2H-indazole?
The InChIKey is JWKPCMSIAGCLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2/c1-4-2-5-7(3-6(4)10)11-12-8(5)9/h2-3H,1H3,(H,11,12).
What are the key properties of 3-chloro-6-fluoro-5-methyl-2H-indazole?
3-chloro-6-fluoro-5-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 3-chloro-6-fluoro-5-methyl-2H-indazole is sourced from PubChem (CID 112706408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).