4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole

C12H12FN3 — CID 168941468

IUPAC4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
SMILESFc1cccc2[nH]nc(C3=CCCNC3)c12
InChIInChI=1S/C12H12FN3/c13-9-4-1-5-10-11(9)12(16-15-10)8-3-2-6-14-7-8/h1,3-5,14H,2,6-7H2,(H,15,16)
InChIKeyPEAOSNJRDOAFLD-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.08
Rot. Bonds1

About 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole

4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole (PubChem CID 168941468) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole.

Molecular Properties

Compound Name4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
PubChem CID168941468
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
SMILESFc1cccc2[nH]nc(C3=CCCNC3)c12
InChIInChI=1S/C12H12FN3/c13-9-4-1-5-10-11(9)12(16-15-10)8-3-2-6-14-7-8/h1,3-5,14H,2,6-7H2,(H,15,16)
InChIKeyPEAOSNJRDOAFLD-UHFFFAOYSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
The IUPAC name of 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole (CID 168941468) is 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole.
What is the SMILES notation for 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
The canonical SMILES for 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole is Fc1cccc2[nH]nc(C3=CCCNC3)c12.
What is the InChIKey of 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
The InChIKey is PEAOSNJRDOAFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-9-4-1-5-10-11(9)12(16-15-10)8-3-2-6-14-7-8/h1,3-5,14H,2,6-7H2,(H,15,16).
What are the key properties of 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole?
4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole has a molecular weight of 217.25 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole is sourced from PubChem (CID 168941468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).