1-[(3-iodo-2-pyridinyl)amino]propan-2-ol

C8H11IN2O — CID 130724684

IUPAC1-[(3-iodo-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1ncccc1I
InChIInChI=1S/C8H11IN2O/c1-6(12)5-11-8-7(9)3-2-4-10-8/h2-4,6,12H,5H2,1H3,(H,10,11)
InChIKeyGHBBAHPKLOLTPE-UHFFFAOYSA-N
MW278.09 g/mol
LogP1.48
Rot. Bonds3

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

1-[(3-iodo-2-pyridinyl)amino]propan-2-ol (PubChem CID 130724684) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is 1-[(3-iodo-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-iodo-2-pyridinyl)amino]propan-2-ol
PubChem CID130724684
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name1-[(3-iodo-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1ncccc1I
InChIInChI=1S/C8H11IN2O/c1-6(12)5-11-8-7(9)3-2-4-10-8/h2-4,6,12H,5H2,1H3,(H,10,11)
InChIKeyGHBBAHPKLOLTPE-UHFFFAOYSA-N
XLogP1.48
TPSA45.15 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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide
CID 130621810
2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid
CID 122060951
N-tert-butyl-3-iodopyridin-2-amine
CID 163216156
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
CID 130736106
3-methyl-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 63966599
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
2-methyl-N-(3-methyl-2-pyridinyl)butane-1,4-diamine
CID 66106814
3-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64599178
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
2,3-bis(2-hydroxypropylamino)phenol
CID 155229182

Frequently Asked Questions

What is the IUPAC name of 1-[(3-iodo-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-[(3-iodo-2-pyridinyl)amino]propan-2-ol (CID 130724684) is 1-[(3-iodo-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-iodo-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-iodo-2-pyridinyl)amino]propan-2-ol is CC(O)CNc1ncccc1I.
What is the InChIKey of 1-[(3-iodo-2-pyridinyl)amino]propan-2-ol?
The InChIKey is GHBBAHPKLOLTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O/c1-6(12)5-11-8-7(9)3-2-4-10-8/h2-4,6,12H,5H2,1H3,(H,10,11).
What are the key properties of 1-[(3-iodo-2-pyridinyl)amino]propan-2-ol?
1-[(3-iodo-2-pyridinyl)amino]propan-2-ol has a molecular weight of 278.09 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-iodo-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 130724684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).