5-chloro-4-iodo-2-methylpyridine

C6H5ClIN — CID 58548727

IUPAC5-chloro-4-iodo-2-methylpyridine
SMILESCc1cc(I)c(Cl)cn1
InChIInChI=1S/C6H5ClIN/c1-4-2-6(8)5(7)3-9-4/h2-3H,1H3
InChIKeyKHSNQKTYIAUNST-UHFFFAOYSA-N
MW253.47 g/mol
LogP2.65
Rot. Bonds

About 5-chloro-4-iodo-2-methylpyridine

5-chloro-4-iodo-2-methylpyridine (PubChem CID 58548727) has the molecular formula C6H5ClIN and a molecular weight of 253.47 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-methylpyridine.

Molecular Properties

Compound Name5-chloro-4-iodo-2-methylpyridine
PubChem CID58548727
Molecular FormulaC6H5ClIN
Molecular Weight253.47 g/mol
Exact Mass252.92
IUPAC Name5-chloro-4-iodo-2-methylpyridine
SMILESCc1cc(I)c(Cl)cn1
InChIInChI=1S/C6H5ClIN/c1-4-2-6(8)5(7)3-9-4/h2-3H,1H3
InChIKeyKHSNQKTYIAUNST-UHFFFAOYSA-N
XLogP2.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-methylpyridine?
The IUPAC name of 5-chloro-4-iodo-2-methylpyridine (CID 58548727) is 5-chloro-4-iodo-2-methylpyridine.
What is the SMILES notation for 5-chloro-4-iodo-2-methylpyridine?
The canonical SMILES for 5-chloro-4-iodo-2-methylpyridine is Cc1cc(I)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-iodo-2-methylpyridine?
The InChIKey is KHSNQKTYIAUNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClIN/c1-4-2-6(8)5(7)3-9-4/h2-3H,1H3.
What are the key properties of 5-chloro-4-iodo-2-methylpyridine?
5-chloro-4-iodo-2-methylpyridine has a molecular weight of 253.47 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-2-methylpyridine is sourced from PubChem (CID 58548727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).