(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile

C8H8IN3O — CID 131049044

IUPAC(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ncc(I)cc1O
InChIInChI=1S/C8H8IN3O/c9-5-3-7(13)8(12-4-5)6(11)1-2-10/h3-4,6,13H,1,11H2/t6-/m1/s1
InChIKeyAIDYVMFJUFOIGN-ZCFIWIBFSA-N
MW289.08 g/mol
LogP1.31
Rot. Bonds2

About (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile

(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile (PubChem CID 131049044) has the molecular formula C8H8IN3O and a molecular weight of 289.08 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile
PubChem CID131049044
Molecular FormulaC8H8IN3O
Molecular Weight289.08 g/mol
Exact Mass288.97
IUPAC Name(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile
SMILESN#CC[C@@H](N)c1ncc(I)cc1O
InChIInChI=1S/C8H8IN3O/c9-5-3-7(13)8(12-4-5)6(11)1-2-10/h3-4,6,13H,1,11H2/t6-/m1/s1
InChIKeyAIDYVMFJUFOIGN-ZCFIWIBFSA-N
XLogP1.31
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanoic acid
CID 131101628
(3S)-3-amino-3-(6-amino-5-iodo-3-pyridinyl)propanenitrile
CID 131218152
(3R)-3-amino-3-(3-fluoro-2-pyridinyl)propanenitrile
CID 55276318
(3S)-3-amino-3-(4,5-dichloro-2-hydroxyphenyl)propanenitrile
CID 130987877
(3S)-3-amino-3-(4-iodophenyl)propanenitrile;hydrochloride
CID 171259922
(3S)-3-amino-3-(4-amino-3-hydroxyphenyl)propanenitrile
CID 130619063
1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine
CID 133060048
(3R)-3-amino-3-(2-chloro-4-iodophenyl)propanenitrile
CID 131096429
(3R)-3-amino-3-(2,4-difluoro-6-hydroxyphenyl)propanenitrile
CID 55273671
3-amino-3-(2-bromo-5-iodophenyl)propanenitrile
CID 130000376
(3S)-3-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanenitrile
CID 131224612
3-amino-3-(4-hydroxy-1H-pyrrol-3-yl)propanenitrile
CID 130002598

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile?
The IUPAC name of (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile (CID 131049044) is (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile?
The canonical SMILES for (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile is N#CC[C@@H](N)c1ncc(I)cc1O.
What is the InChIKey of (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile?
The InChIKey is AIDYVMFJUFOIGN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8IN3O/c9-5-3-7(13)8(12-4-5)6(11)1-2-10/h3-4,6,13H,1,11H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile?
(3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile has a molecular weight of 289.08 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-hydroxy-5-iodo-2-pyridinyl)propanenitrile is sourced from PubChem (CID 131049044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).