5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole

C14H16BrF2N3 — CID 169087484

IUPAC5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole
SMILESFC1(F)CCN(CCn2cc3cc(Br)ccc3n2)CC1
InChIInChI=1S/C14H16BrF2N3/c15-12-1-2-13-11(9-12)10-20(18-13)8-7-19-5-3-14(16,17)4-6-19/h1-2,9-10H,3-8H2
InChIKeyFPMHUBFJSKTLDP-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole

5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole (PubChem CID 169087484) has the molecular formula C14H16BrF2N3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole.

Molecular Properties

Compound Name5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole
PubChem CID169087484
Molecular FormulaC14H16BrF2N3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole
SMILESFC1(F)CCN(CCn2cc3cc(Br)ccc3n2)CC1
InChIInChI=1S/C14H16BrF2N3/c15-12-1-2-13-11(9-12)10-20(18-13)8-7-19-5-3-14(16,17)4-6-19/h1-2,9-10H,3-8H2
InChIKeyFPMHUBFJSKTLDP-UHFFFAOYSA-N
XLogP3.53
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole?
The IUPAC name of 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole (CID 169087484) is 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole.
What is the SMILES notation for 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole?
The canonical SMILES for 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole is FC1(F)CCN(CCn2cc3cc(Br)ccc3n2)CC1.
What is the InChIKey of 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole?
The InChIKey is FPMHUBFJSKTLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2N3/c15-12-1-2-13-11(9-12)10-20(18-13)8-7-19-5-3-14(16,17)4-6-19/h1-2,9-10H,3-8H2.
What are the key properties of 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole?
5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole has a molecular weight of 344.20 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4,4-difluoropiperidin-1-yl)ethyl]indazole is sourced from PubChem (CID 169087484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).