(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide

C8H9IN2O2 — CID 130621810

IUPAC(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide
SMILESC[C@@H](O)C(=O)Nc1ncccc1I
InChIInChI=1S/C8H9IN2O2/c1-5(12)8(13)11-7-6(9)3-2-4-10-7/h2-5,12H,1H3,(H,10,11,13)/t5-/m1/s1
InChIKeyPNBVLKMPUYGDPW-RXMQYKEDSA-N
MW292.08 g/mol
LogP1.01
Rot. Bonds2

About (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide

(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide (PubChem CID 130621810) has the molecular formula C8H9IN2O2 and a molecular weight of 292.08 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide
PubChem CID130621810
Molecular FormulaC8H9IN2O2
Molecular Weight292.08 g/mol
Exact Mass291.97
IUPAC Name(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide
SMILESC[C@@H](O)C(=O)Nc1ncccc1I
InChIInChI=1S/C8H9IN2O2/c1-5(12)8(13)11-7-6(9)3-2-4-10-7/h2-5,12H,1H3,(H,10,11,13)/t5-/m1/s1
InChIKeyPNBVLKMPUYGDPW-RXMQYKEDSA-N
XLogP1.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.01
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 (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide?
The IUPAC name of (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide (CID 130621810) is (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide is C[C@@H](O)C(=O)Nc1ncccc1I.
What is the InChIKey of (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide?
The InChIKey is PNBVLKMPUYGDPW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9IN2O2/c1-5(12)8(13)11-7-6(9)3-2-4-10-7/h2-5,12H,1H3,(H,10,11,13)/t5-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide?
(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide has a molecular weight of 292.08 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide is sourced from PubChem (CID 130621810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).