6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde

C14H7Cl2F2N3O2 — CID 171058233

IUPAC6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESO=Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C14H7Cl2F2N3O2/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/h1-6,14H
InChIKeyHQNIKWMHVREWGS-UHFFFAOYSA-N
MW358.13 g/mol
LogP4.14
Rot. Bonds4

About 6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde

6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde (PubChem CID 171058233) has the molecular formula C14H7Cl2F2N3O2 and a molecular weight of 358.13 g/mol. Its IUPAC name is 6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde
PubChem CID171058233
Molecular FormulaC14H7Cl2F2N3O2
Molecular Weight358.13 g/mol
Exact Mass356.99
IUPAC Name6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESO=Cc1nn(-c2cc(Cl)ccc2OC(F)F)c2cc(Cl)ncc12
InChIInChI=1S/C14H7Cl2F2N3O2/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/h1-6,14H
InChIKeyHQNIKWMHVREWGS-UHFFFAOYSA-N
XLogP4.14
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.13
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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]pyridine-3-carbaldehyde?
The IUPAC name of 6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde (CID 171058233) is 6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde?
The canonical SMILES for 6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde is O=Cc1nn(-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]pyridine-3-carbaldehyde?
The InChIKey is HQNIKWMHVREWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F2N3O2/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/h1-6,14H.
What are the key properties of 6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde?
6-chloro-1-[5-chloro-2-(difluoromethoxy)phenyl]pyrazolo[4,3-c]pyridine-3-carbaldehyde has a molecular weight of 358.13 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 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]pyridine-3-carbaldehyde is sourced from PubChem (CID 171058233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).