4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium

C6H5ClINO — CID 163275714

IUPAC4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium
SMILESCc1c(I)c(Cl)cc[n+]1[O-]
InChIInChI=1S/C6H5ClINO/c1-4-6(8)5(7)2-3-9(4)10/h2-3H,1H3
InChIKeySAGMKXJPJBOKAU-UHFFFAOYSA-N
MW269.47 g/mol
LogP1.89
Rot. Bonds

About 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium

4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium (PubChem CID 163275714) has the molecular formula C6H5ClINO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium
PubChem CID163275714
Molecular FormulaC6H5ClINO
Molecular Weight269.47 g/mol
Exact Mass268.91
IUPAC Name4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium
SMILESCc1c(I)c(Cl)cc[n+]1[O-]
InChIInChI=1S/C6H5ClINO/c1-4-6(8)5(7)2-3-9(4)10/h2-3H,1H3
InChIKeySAGMKXJPJBOKAU-UHFFFAOYSA-N
XLogP1.89
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium?
The IUPAC name of 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium (CID 163275714) is 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium.
What is the SMILES notation for 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium?
The canonical SMILES for 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium is Cc1c(I)c(Cl)cc[n+]1[O-].
What is the InChIKey of 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium?
The InChIKey is SAGMKXJPJBOKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClINO/c1-4-6(8)5(7)2-3-9(4)10/h2-3H,1H3.
What are the key properties of 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium?
4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium has a molecular weight of 269.47 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-2-methyl-1-oxidopyridin-1-ium is sourced from PubChem (CID 163275714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).