(3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile

C8H8IN3 — CID 130737698

IUPAC(3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1cccc(I)n1
InChIInChI=1S/C8H8IN3/c9-8-3-1-2-7(12-8)6(11)4-5-10/h1-3,6H,4,11H2/t6-/m1/s1
InChIKeyFHNWNVPBYQYTOO-ZCFIWIBFSA-N
MW273.08 g/mol
LogP1.60
Rot. Bonds2

About (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile

(3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile (PubChem CID 130737698) has the molecular formula C8H8IN3 and a molecular weight of 273.08 g/mol. Its IUPAC name is (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile
PubChem CID130737698
Molecular FormulaC8H8IN3
Molecular Weight273.08 g/mol
Exact Mass272.98
IUPAC Name(3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1cccc(I)n1
InChIInChI=1S/C8H8IN3/c9-8-3-1-2-7(12-8)6(11)4-5-10/h1-3,6H,4,11H2/t6-/m1/s1
InChIKeyFHNWNVPBYQYTOO-ZCFIWIBFSA-N
XLogP1.60
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile (CID 130737698) is (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile is N#CC[C@@H](N)c1cccc(I)n1.
What is the InChIKey of (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile?
The InChIKey is FHNWNVPBYQYTOO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8IN3/c9-8-3-1-2-7(12-8)6(11)4-5-10/h1-3,6H,4,11H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile?
(3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile has a molecular weight of 273.08 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(6-iodo-2-pyridinyl)propanenitrile is sourced from PubChem (CID 130737698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).