5-fluoro-6-propyl-1H-indazole

C10H11FN2 — CID 91027618

IUPAC5-fluoro-6-propyl-1H-indazole
SMILESCCCc1cc2[nH]ncc2cc1F
InChIInChI=1S/C10H11FN2/c1-2-3-7-5-10-8(4-9(7)11)6-12-13-10/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeySXTMUQLIZGZNCP-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.65
Rot. Bonds2

About 5-fluoro-6-propyl-1H-indazole

5-fluoro-6-propyl-1H-indazole (PubChem CID 91027618) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-fluoro-6-propyl-1H-indazole.

Molecular Properties

Compound Name5-fluoro-6-propyl-1H-indazole
PubChem CID91027618
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name5-fluoro-6-propyl-1H-indazole
SMILESCCCc1cc2[nH]ncc2cc1F
InChIInChI=1S/C10H11FN2/c1-2-3-7-5-10-8(4-9(7)11)6-12-13-10/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeySXTMUQLIZGZNCP-UHFFFAOYSA-N
XLogP2.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-propyl-1H-indazole?
The IUPAC name of 5-fluoro-6-propyl-1H-indazole (CID 91027618) is 5-fluoro-6-propyl-1H-indazole.
What is the SMILES notation for 5-fluoro-6-propyl-1H-indazole?
The canonical SMILES for 5-fluoro-6-propyl-1H-indazole is CCCc1cc2[nH]ncc2cc1F.
What is the InChIKey of 5-fluoro-6-propyl-1H-indazole?
The InChIKey is SXTMUQLIZGZNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-2-3-7-5-10-8(4-9(7)11)6-12-13-10/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-fluoro-6-propyl-1H-indazole?
5-fluoro-6-propyl-1H-indazole has a molecular weight of 178.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propyl-1H-indazole is sourced from PubChem (CID 91027618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).