[6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol

C14H9Cl2F2N3O2 — CID 170553668

IUPAC[6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESOCc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C14H9Cl2F2N3O2/c15-7-1-2-12(23-14(17)18)11(3-7)21-10-4-13(16)19-5-8(10)9(6-22)20-21/h1-5,14,22H,6H2
InChIKeyZSZKNGMKJDMROG-UHFFFAOYSA-N
MW360.15 g/mol
LogP3.82
Rot. Bonds4

About [6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol

[6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol (PubChem CID 170553668) has the molecular formula C14H9Cl2F2N3O2 and a molecular weight of 360.15 g/mol. Its IUPAC name is [6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol
PubChem CID170553668
Molecular FormulaC14H9Cl2F2N3O2
Molecular Weight360.15 g/mol
Exact Mass359.00
IUPAC Name[6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol
SMILESOCc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C14H9Cl2F2N3O2/c15-7-1-2-12(23-14(17)18)11(3-7)21-10-4-13(16)19-5-8(10)9(6-22)20-21/h1-5,14,22H,6H2
InChIKeyZSZKNGMKJDMROG-UHFFFAOYSA-N
XLogP3.82
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol?
The IUPAC name of [6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol (CID 170553668) is [6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol.
What is the SMILES notation for [6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol?
The canonical SMILES for [6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol is OCc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(Cl)ncc12.
What is the InChIKey of [6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol?
The InChIKey is ZSZKNGMKJDMROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F2N3O2/c15-7-1-2-12(23-14(17)18)11(3-7)21-10-4-13(16)19-5-8(10)9(6-22)20-21/h1-5,14,22H,6H2.
What are the key properties of [6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol?
[6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol has a molecular weight of 360.15 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridin-3-yl]methanol is sourced from PubChem (CID 170553668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).