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'}

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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).