6-chloro-7-fluoro-2-methylindazole

C8H6ClFN2 — CID 171662432

IUPAC6-chloro-7-fluoro-2-methylindazole
SMILESCn1cc2ccc(Cl)c(F)c2n1
InChIInChI=1S/C8H6ClFN2/c1-12-4-5-2-3-6(9)7(10)8(5)11-12/h2-4H,1H3
InChIKeyQNCISWOLZINDAN-UHFFFAOYSA-N
MW184.60 g/mol
LogP2.37
Rot. Bonds

About 6-chloro-7-fluoro-2-methylindazole

6-chloro-7-fluoro-2-methylindazole (PubChem CID 171662432) has the molecular formula C8H6ClFN2 and a molecular weight of 184.60 g/mol. Its IUPAC name is 6-chloro-7-fluoro-2-methylindazole.

Molecular Properties

Compound Name6-chloro-7-fluoro-2-methylindazole
PubChem CID171662432
Molecular FormulaC8H6ClFN2
Molecular Weight184.60 g/mol
Exact Mass184.02
IUPAC Name6-chloro-7-fluoro-2-methylindazole
SMILESCn1cc2ccc(Cl)c(F)c2n1
InChIInChI=1S/C8H6ClFN2/c1-12-4-5-2-3-6(9)7(10)8(5)11-12/h2-4H,1H3
InChIKeyQNCISWOLZINDAN-UHFFFAOYSA-N
XLogP2.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-2-methylindazole?
The IUPAC name of 6-chloro-7-fluoro-2-methylindazole (CID 171662432) is 6-chloro-7-fluoro-2-methylindazole.
What is the SMILES notation for 6-chloro-7-fluoro-2-methylindazole?
The canonical SMILES for 6-chloro-7-fluoro-2-methylindazole is Cn1cc2ccc(Cl)c(F)c2n1.
What is the InChIKey of 6-chloro-7-fluoro-2-methylindazole?
The InChIKey is QNCISWOLZINDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2/c1-12-4-5-2-3-6(9)7(10)8(5)11-12/h2-4H,1H3.
What are the key properties of 6-chloro-7-fluoro-2-methylindazole?
6-chloro-7-fluoro-2-methylindazole has a molecular weight of 184.60 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-2-methylindazole is sourced from PubChem (CID 171662432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).