1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol

C16H15ClIN3O — CID 168640406

IUPAC1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol
SMILESOC(CCl)CNc1cccc(-c2cn3cc(I)ccc3n2)c1
InChIInChI=1S/C16H15ClIN3O/c17-7-14(22)8-19-13-3-1-2-11(6-13)15-10-21-9-12(18)4-5-16(21)20-15/h1-6,9-10,14,19,22H,7-8H2
InChIKeyKNRGWHNXBVHRAB-UHFFFAOYSA-N
MW427.67 g/mol
LogP3.62
Rot. Bonds5

About 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol

1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol (PubChem CID 168640406) has the molecular formula C16H15ClIN3O and a molecular weight of 427.67 g/mol. Its IUPAC name is 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol
PubChem CID168640406
Molecular FormulaC16H15ClIN3O
Molecular Weight427.67 g/mol
Exact Mass426.99
IUPAC Name1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol
SMILESOC(CCl)CNc1cccc(-c2cn3cc(I)ccc3n2)c1
InChIInChI=1S/C16H15ClIN3O/c17-7-14(22)8-19-13-3-1-2-11(6-13)15-10-21-9-12(18)4-5-16(21)20-15/h1-6,9-10,14,19,22H,7-8H2
InChIKeyKNRGWHNXBVHRAB-UHFFFAOYSA-N
XLogP3.62
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.67
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol 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

1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
1-(2-hydroxyethyl)-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]pyrrole-2,5-dione
CID 168557338
N-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 1480562
1-chloro-3-[3-(1H-imidazol-5-yl)anilino]propan-2-ol
CID 168637573
2-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]-6-methylquinoline-4-carboxylic acid
CID 168639210
1-chloro-3-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)anilino]propan-2-ol
CID 168640126
[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]hydrazine
CID 23106734
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
1-chloro-3-[3-(4,5-dimethyl-1H-imidazol-2-yl)anilino]propan-2-ol
CID 168639667
6-iodo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 169323354
N-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 986158
1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol
CID 168639157

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol (CID 168640406) is 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol is OC(CCl)CNc1cccc(-c2cn3cc(I)ccc3n2)c1.
What is the InChIKey of 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol?
The InChIKey is KNRGWHNXBVHRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClIN3O/c17-7-14(22)8-19-13-3-1-2-11(6-13)15-10-21-9-12(18)4-5-16(21)20-15/h1-6,9-10,14,19,22H,7-8H2.
What are the key properties of 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol?
1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol has a molecular weight of 427.67 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)anilino]propan-2-ol is sourced from PubChem (CID 168640406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).