2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide

C8H8ClIN2O — CID 126993024

IUPAC2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
SMILESCc1cc(I)cnc1NC(=O)CCl
InChIInChI=1S/C8H8ClIN2O/c1-5-2-6(10)4-11-8(5)12-7(13)3-9/h2,4H,3H2,1H3,(H,11,12,13)
InChIKeyPFZRBRXCSLEMRF-UHFFFAOYSA-N
MW310.52 g/mol
LogP2.17
Rot. Bonds2

About 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide

2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide (PubChem CID 126993024) has the molecular formula C8H8ClIN2O and a molecular weight of 310.52 g/mol. Its IUPAC name is 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
PubChem CID126993024
Molecular FormulaC8H8ClIN2O
Molecular Weight310.52 g/mol
Exact Mass309.94
IUPAC Name2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
SMILESCc1cc(I)cnc1NC(=O)CCl
InChIInChI=1S/C8H8ClIN2O/c1-5-2-6(10)4-11-8(5)12-7(13)3-9/h2,4H,3H2,1H3,(H,11,12,13)
InChIKeyPFZRBRXCSLEMRF-UHFFFAOYSA-N
XLogP2.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide (CID 126993024) is 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide is Cc1cc(I)cnc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide?
The InChIKey is PFZRBRXCSLEMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClIN2O/c1-5-2-6(10)4-11-8(5)12-7(13)3-9/h2,4H,3H2,1H3,(H,11,12,13).
What are the key properties of 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide?
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide has a molecular weight of 310.52 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 126993024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).