5-chloro-4-ethyl-6-fluoro-1H-indazole

C9H8ClFN2 — CID 139364624

IUPAC5-chloro-4-ethyl-6-fluoro-1H-indazole
SMILESCCc1c(Cl)c(F)cc2[nH]ncc12
InChIInChI=1S/C9H8ClFN2/c1-2-5-6-4-12-13-8(6)3-7(11)9(5)10/h3-4H,2H2,1H3,(H,12,13)
InChIKeyVNTGFHJZYFKJPQ-UHFFFAOYSA-N
MW198.63 g/mol
LogP2.92
Rot. Bonds1

About 5-chloro-4-ethyl-6-fluoro-1H-indazole

5-chloro-4-ethyl-6-fluoro-1H-indazole (PubChem CID 139364624) has the molecular formula C9H8ClFN2 and a molecular weight of 198.63 g/mol. Its IUPAC name is 5-chloro-4-ethyl-6-fluoro-1H-indazole.

Molecular Properties

Compound Name5-chloro-4-ethyl-6-fluoro-1H-indazole
PubChem CID139364624
Molecular FormulaC9H8ClFN2
Molecular Weight198.63 g/mol
Exact Mass198.04
IUPAC Name5-chloro-4-ethyl-6-fluoro-1H-indazole
SMILESCCc1c(Cl)c(F)cc2[nH]ncc12
InChIInChI=1S/C9H8ClFN2/c1-2-5-6-4-12-13-8(6)3-7(11)9(5)10/h3-4H,2H2,1H3,(H,12,13)
InChIKeyVNTGFHJZYFKJPQ-UHFFFAOYSA-N
XLogP2.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.63
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-6-fluoro-1H-indazole?
The IUPAC name of 5-chloro-4-ethyl-6-fluoro-1H-indazole (CID 139364624) is 5-chloro-4-ethyl-6-fluoro-1H-indazole.
What is the SMILES notation for 5-chloro-4-ethyl-6-fluoro-1H-indazole?
The canonical SMILES for 5-chloro-4-ethyl-6-fluoro-1H-indazole is CCc1c(Cl)c(F)cc2[nH]ncc12.
What is the InChIKey of 5-chloro-4-ethyl-6-fluoro-1H-indazole?
The InChIKey is VNTGFHJZYFKJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2/c1-2-5-6-4-12-13-8(6)3-7(11)9(5)10/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 5-chloro-4-ethyl-6-fluoro-1H-indazole?
5-chloro-4-ethyl-6-fluoro-1H-indazole has a molecular weight of 198.63 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-6-fluoro-1H-indazole is sourced from PubChem (CID 139364624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).