2-chloro-1-iodo-2-methylpyridine

C6H7ClIN — CID 174280851

IUPAC2-chloro-1-iodo-2-methylpyridine
SMILESCC1(Cl)C=CC=CN1I
InChIInChI=1S/C6H7ClIN/c1-6(7)4-2-3-5-9(6)8/h2-5H,1H3
InChIKeyGLQSHAFFJRTNKX-UHFFFAOYSA-N
MW255.49 g/mol
LogP2.68
Rot. Bonds

About 2-chloro-1-iodo-2-methylpyridine

2-chloro-1-iodo-2-methylpyridine (PubChem CID 174280851) has the molecular formula C6H7ClIN and a molecular weight of 255.49 g/mol. Its IUPAC name is 2-chloro-1-iodo-2-methylpyridine.

Molecular Properties

Compound Name2-chloro-1-iodo-2-methylpyridine
PubChem CID174280851
Molecular FormulaC6H7ClIN
Molecular Weight255.49 g/mol
Exact Mass254.93
IUPAC Name2-chloro-1-iodo-2-methylpyridine
SMILESCC1(Cl)C=CC=CN1I
InChIInChI=1S/C6H7ClIN/c1-6(7)4-2-3-5-9(6)8/h2-5H,1H3
InChIKeyGLQSHAFFJRTNKX-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-iodo-2-methylpyridine?
The IUPAC name of 2-chloro-1-iodo-2-methylpyridine (CID 174280851) is 2-chloro-1-iodo-2-methylpyridine.
What is the SMILES notation for 2-chloro-1-iodo-2-methylpyridine?
The canonical SMILES for 2-chloro-1-iodo-2-methylpyridine is CC1(Cl)C=CC=CN1I.
What is the InChIKey of 2-chloro-1-iodo-2-methylpyridine?
The InChIKey is GLQSHAFFJRTNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClIN/c1-6(7)4-2-3-5-9(6)8/h2-5H,1H3.
What are the key properties of 2-chloro-1-iodo-2-methylpyridine?
2-chloro-1-iodo-2-methylpyridine has a molecular weight of 255.49 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-iodo-2-methylpyridine is sourced from PubChem (CID 174280851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).