2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol

C8H9IN4O — CID 67403216

IUPAC2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol
SMILESNc1nccc2c1c(I)nn2CCO
InChIInChI=1S/C8H9IN4O/c9-7-6-5(1-2-11-8(6)10)13(12-7)3-4-14/h1-2,14H,3-4H2,(H2,10,11)
InChIKeyDCNIWDHUJZJRHC-UHFFFAOYSA-N
MW304.09 g/mol
LogP0.61
Rot. Bonds2

About 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol

2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol (PubChem CID 67403216) has the molecular formula C8H9IN4O and a molecular weight of 304.09 g/mol. Its IUPAC name is 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol
PubChem CID67403216
Molecular FormulaC8H9IN4O
Molecular Weight304.09 g/mol
Exact Mass303.98
IUPAC Name2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol
SMILESNc1nccc2c1c(I)nn2CCO
InChIInChI=1S/C8H9IN4O/c9-7-6-5(1-2-11-8(6)10)13(12-7)3-4-14/h1-2,14H,3-4H2,(H2,10,11)
InChIKeyDCNIWDHUJZJRHC-UHFFFAOYSA-N
XLogP0.61
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol?
The IUPAC name of 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol (CID 67403216) is 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol.
What is the SMILES notation for 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol?
The canonical SMILES for 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol is Nc1nccc2c1c(I)nn2CCO.
What is the InChIKey of 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol?
The InChIKey is DCNIWDHUJZJRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN4O/c9-7-6-5(1-2-11-8(6)10)13(12-7)3-4-14/h1-2,14H,3-4H2,(H2,10,11).
What are the key properties of 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol?
2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol has a molecular weight of 304.09 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)ethanol is sourced from PubChem (CID 67403216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).