7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole

C11H12ClFN2 — CID 175616665

IUPAC7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole
SMILESCC(C)c1cc(F)c(Cl)c2nn(C)cc12
InChIInChI=1S/C11H12ClFN2/c1-6(2)7-4-9(13)10(12)11-8(7)5-15(3)14-11/h4-6H,1-3H3
InChIKeyJVMBBUKMDHQOLV-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.49
Rot. Bonds1

About 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole

7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole (PubChem CID 175616665) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole.

Molecular Properties

Compound Name7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole
PubChem CID175616665
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole
SMILESCC(C)c1cc(F)c(Cl)c2nn(C)cc12
InChIInChI=1S/C11H12ClFN2/c1-6(2)7-4-9(13)10(12)11-8(7)5-15(3)14-11/h4-6H,1-3H3
InChIKeyJVMBBUKMDHQOLV-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole?
The IUPAC name of 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole (CID 175616665) is 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole.
What is the SMILES notation for 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole?
The canonical SMILES for 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole is CC(C)c1cc(F)c(Cl)c2nn(C)cc12.
What is the InChIKey of 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole?
The InChIKey is JVMBBUKMDHQOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c1-6(2)7-4-9(13)10(12)11-8(7)5-15(3)14-11/h4-6H,1-3H3.
What are the key properties of 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole?
7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole has a molecular weight of 226.68 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-2-methyl-4-propan-2-ylindazole is sourced from PubChem (CID 175616665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).