3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol

C8H11IN2O — CID 46318126

IUPAC3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol
SMILESNc1ncc(I)cc1CCCO
InChIInChI=1S/C8H11IN2O/c9-7-4-6(2-1-3-12)8(10)11-5-7/h4-5,12H,1-3H2,(H2,10,11)
InChIKeyYNFARIIDFMCPQJ-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.19
Rot. Bonds3

About 3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol

3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol (PubChem CID 46318126) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is 3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol
PubChem CID46318126
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol
SMILESNc1ncc(I)cc1CCCO
InChIInChI=1S/C8H11IN2O/c9-7-4-6(2-1-3-12)8(10)11-5-7/h4-5,12H,1-3H2,(H2,10,11)
InChIKeyYNFARIIDFMCPQJ-UHFFFAOYSA-N
XLogP1.19
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-amino-5-iodo-3-pyridinyl)propan-1-ol?
The IUPAC name of 3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol (CID 46318126) is 3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol?
The canonical SMILES for 3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol is Nc1ncc(I)cc1CCCO.
What is the InChIKey of 3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol?
The InChIKey is YNFARIIDFMCPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O/c9-7-4-6(2-1-3-12)8(10)11-5-7/h4-5,12H,1-3H2,(H2,10,11).
What are the key properties of 3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol?
3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol has a molecular weight of 278.09 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-iodo-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 46318126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).