6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide

C12H8ClIN2O — CID 55052347

IUPAC6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cccc(Cl)n1
InChIInChI=1S/C12H8ClIN2O/c13-11-6-2-5-10(16-11)12(17)15-9-4-1-3-8(14)7-9/h1-7H,(H,15,17)
InChIKeyDTFCKINKRDQCRS-UHFFFAOYSA-N
MW358.57 g/mol
LogP3.59
Rot. Bonds2

About 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide

6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide (PubChem CID 55052347) has the molecular formula C12H8ClIN2O and a molecular weight of 358.57 g/mol. Its IUPAC name is 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
PubChem CID55052347
Molecular FormulaC12H8ClIN2O
Molecular Weight358.57 g/mol
Exact Mass357.94
IUPAC Name6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cccc(Cl)n1
InChIInChI=1S/C12H8ClIN2O/c13-11-6-2-5-10(16-11)12(17)15-9-4-1-3-8(14)7-9/h1-7H,(H,15,17)
InChIKeyDTFCKINKRDQCRS-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide
CID 103336801
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 62233805
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
2-amino-6-chloro-N-(3-iodophenyl)pyridine-4-carboxamide
CID 62154226
4-chloro-N-(3-iodophenyl)quinoline-2-carboxamide
CID 63483680
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide
CID 62234890
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
5-hydrazinyl-N-(3-iodophenyl)pyridine-2-carboxamide
CID 104642534
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
CID 62235091

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide (CID 55052347) is 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide is O=C(Nc1cccc(I)c1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide?
The InChIKey is DTFCKINKRDQCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIN2O/c13-11-6-2-5-10(16-11)12(17)15-9-4-1-3-8(14)7-9/h1-7H,(H,15,17).
What are the key properties of 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide?
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide has a molecular weight of 358.57 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 55052347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).