6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine

C10H8ClF3N4O — CID 170576790

IUPAC6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)OC1CN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C10H8ClF3N4O/c11-8-1-7-6(2-15-8)9(17-16-7)18-3-5(4-18)19-10(12,13)14/h1-2,5H,3-4H2,(H,16,17)
InChIKeyXPTGNPHRSBXRKR-UHFFFAOYSA-N
MW292.65 g/mol
LogP2.34
Rot. Bonds2

About 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine

6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 170576790) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID170576790
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine
SMILESFC(F)(F)OC1CN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C10H8ClF3N4O/c11-8-1-7-6(2-15-8)9(17-16-7)18-3-5(4-18)19-10(12,13)14/h1-2,5H,3-4H2,(H,16,17)
InChIKeyXPTGNPHRSBXRKR-UHFFFAOYSA-N
XLogP2.34
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine (CID 170576790) is 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine is FC(F)(F)OC1CN(c2n[nH]c3cc(Cl)ncc23)C1.
What is the InChIKey of 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is XPTGNPHRSBXRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c11-8-1-7-6(2-15-8)9(17-16-7)18-3-5(4-18)19-10(12,13)14/h1-2,5H,3-4H2,(H,16,17).
What are the key properties of 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine?
6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 292.65 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170576790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).