5-(dimethylamino)-2-iodopyridine-3-carbaldehyde

C8H9IN2O — CID 131567349

IUPAC5-(dimethylamino)-2-iodopyridine-3-carbaldehyde
SMILESCN(C)c1cnc(I)c(C=O)c1
InChIInChI=1S/C8H9IN2O/c1-11(2)7-3-6(5-12)8(9)10-4-7/h3-5H,1-2H3
InChIKeyKXBXNSYWZSSJOZ-UHFFFAOYSA-N
MW276.08 g/mol
LogP1.56
Rot. Bonds2

About 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde

5-(dimethylamino)-2-iodopyridine-3-carbaldehyde (PubChem CID 131567349) has the molecular formula C8H9IN2O and a molecular weight of 276.08 g/mol. Its IUPAC name is 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(dimethylamino)-2-iodopyridine-3-carbaldehyde
PubChem CID131567349
Molecular FormulaC8H9IN2O
Molecular Weight276.08 g/mol
Exact Mass275.98
IUPAC Name5-(dimethylamino)-2-iodopyridine-3-carbaldehyde
SMILESCN(C)c1cnc(I)c(C=O)c1
InChIInChI=1S/C8H9IN2O/c1-11(2)7-3-6(5-12)8(9)10-4-7/h3-5H,1-2H3
InChIKeyKXBXNSYWZSSJOZ-UHFFFAOYSA-N
XLogP1.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde?
The IUPAC name of 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde (CID 131567349) is 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde.
What is the SMILES notation for 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde?
The canonical SMILES for 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde is CN(C)c1cnc(I)c(C=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde?
The InChIKey is KXBXNSYWZSSJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O/c1-11(2)7-3-6(5-12)8(9)10-4-7/h3-5H,1-2H3.
What are the key properties of 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde?
5-(dimethylamino)-2-iodopyridine-3-carbaldehyde has a molecular weight of 276.08 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-iodopyridine-3-carbaldehyde is sourced from PubChem (CID 131567349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).