3-ethyl-5,6-difluoro-2H-indazole

C9H8F2N2 — CID 123307421

IUPAC3-ethyl-5,6-difluoro-2H-indazole
SMILESCCc1[nH]nc2cc(F)c(F)cc12
InChIInChI=1S/C9H8F2N2/c1-2-8-5-3-6(10)7(11)4-9(5)13-12-8/h3-4H,2H2,1H3,(H,12,13)
InChIKeyVLHAGNVYWHVJGP-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.40
Rot. Bonds1

About 3-ethyl-5,6-difluoro-2H-indazole

3-ethyl-5,6-difluoro-2H-indazole (PubChem CID 123307421) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-ethyl-5,6-difluoro-2H-indazole.

Molecular Properties

Compound Name3-ethyl-5,6-difluoro-2H-indazole
PubChem CID123307421
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name3-ethyl-5,6-difluoro-2H-indazole
SMILESCCc1[nH]nc2cc(F)c(F)cc12
InChIInChI=1S/C9H8F2N2/c1-2-8-5-3-6(10)7(11)4-9(5)13-12-8/h3-4H,2H2,1H3,(H,12,13)
InChIKeyVLHAGNVYWHVJGP-UHFFFAOYSA-N
XLogP2.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-difluoro-2H-indazole?
The IUPAC name of 3-ethyl-5,6-difluoro-2H-indazole (CID 123307421) is 3-ethyl-5,6-difluoro-2H-indazole.
What is the SMILES notation for 3-ethyl-5,6-difluoro-2H-indazole?
The canonical SMILES for 3-ethyl-5,6-difluoro-2H-indazole is CCc1[nH]nc2cc(F)c(F)cc12.
What is the InChIKey of 3-ethyl-5,6-difluoro-2H-indazole?
The InChIKey is VLHAGNVYWHVJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-2-8-5-3-6(10)7(11)4-9(5)13-12-8/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of 3-ethyl-5,6-difluoro-2H-indazole?
3-ethyl-5,6-difluoro-2H-indazole has a molecular weight of 182.17 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-difluoro-2H-indazole is sourced from PubChem (CID 123307421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).