6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine

C8H8ClN3O — CID 171437376

IUPAC6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine
SMILES[2H]C([2H])([2H])n1ncc2cnc(Cl)c(OC)c21
InChIInChI=1S/C8H8ClN3O/c1-12-6-5(4-11-12)3-10-8(9)7(6)13-2/h3-4H,1-2H3/i1D3
InChIKeyKNALFHHQJRJYHC-FIBGUPNXSA-N
MW200.64 g/mol
LogP1.63
Rot. Bonds2

About 6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine

6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine (PubChem CID 171437376) has the molecular formula C8H8ClN3O and a molecular weight of 200.64 g/mol. Its IUPAC name is 6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine
PubChem CID171437376
Molecular FormulaC8H8ClN3O
Molecular Weight200.64 g/mol
Exact Mass200.05
IUPAC Name6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine
SMILES[2H]C([2H])([2H])n1ncc2cnc(Cl)c(OC)c21
InChIInChI=1S/C8H8ClN3O/c1-12-6-5(4-11-12)3-10-8(9)7(6)13-2/h3-4H,1-2H3/i1D3
InChIKeyKNALFHHQJRJYHC-FIBGUPNXSA-N
XLogP1.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 51.63
H-Bond Donors ≤ 50
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-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine (CID 171437376) is 6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine is [2H]C([2H])([2H])n1ncc2cnc(Cl)c(OC)c21.
What is the InChIKey of 6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is KNALFHHQJRJYHC-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-12-6-5(4-11-12)3-10-8(9)7(6)13-2/h3-4H,1-2H3/i1D3.
What are the key properties of 6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine?
6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 200.64 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methoxy-1-(trideuteriomethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 171437376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).