3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine

C10H12IN3O — CID 71037266

IUPAC3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine
SMILESCC(C)Oc1nccc2c1c(I)nn2C
InChIInChI=1S/C10H12IN3O/c1-6(2)15-10-8-7(4-5-12-10)14(3)13-9(8)11/h4-6H,1-3H3
InChIKeySWVHUXPIFNNKDA-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.36
Rot. Bonds2

About 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine

3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine (PubChem CID 71037266) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine
PubChem CID71037266
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine
SMILESCC(C)Oc1nccc2c1c(I)nn2C
InChIInChI=1S/C10H12IN3O/c1-6(2)15-10-8-7(4-5-12-10)14(3)13-9(8)11/h4-6H,1-3H3
InChIKeySWVHUXPIFNNKDA-UHFFFAOYSA-N
XLogP2.36
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine?
The IUPAC name of 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine (CID 71037266) is 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine is CC(C)Oc1nccc2c1c(I)nn2C.
What is the InChIKey of 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine?
The InChIKey is SWVHUXPIFNNKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O/c1-6(2)15-10-8-7(4-5-12-10)14(3)13-9(8)11/h4-6H,1-3H3.
What are the key properties of 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine?
3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine has a molecular weight of 317.13 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-4-propan-2-yloxypyrazolo[4,3-c]pyridine is sourced from PubChem (CID 71037266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).