5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine

C8H3ClIN3 — CID 166563498

IUPAC5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2c(I)ccc(Cl)n12
InChIInChI=1S/C8H3ClIN3/c1-11-7-4-12-8-5(10)2-3-6(9)13(7)8/h2-4H
InChIKeyCEQBQWKNRLDGNC-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.14
Rot. Bonds

About 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine

5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 166563498) has the molecular formula C8H3ClIN3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine
PubChem CID166563498
Molecular FormulaC8H3ClIN3
Molecular Weight303.49 g/mol
Exact Mass302.91
IUPAC Name5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine
SMILES[C-]#[N+]c1cnc2c(I)ccc(Cl)n12
InChIInChI=1S/C8H3ClIN3/c1-11-7-4-12-8-5(10)2-3-6(9)13(7)8/h2-4H
InChIKeyCEQBQWKNRLDGNC-UHFFFAOYSA-N
XLogP3.14
TPSA21.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine 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

Imidazo(1,2-a)pyridine
CID 78960
3-Bromoimidazo[1,2-a]pyridine
CID 327951
6-Chloro-2-phenylimidazo[1,2-a]pyridine
CID 696181
2-chloro-5-(1H-imidazol-1-ylmethyl)pyridine
CID 1473524
Imidazo[1,2-a]pyridin-5-amine
CID 327952
((6-Chloroimidazo(1,2-a)pyridin-2-yl)methyl)(methyl)amine
CID 4626209
2-Chloromethyl-imidazo(1,2-A)pyridine
CID 957614
2-chloro-5-[(2-methyl-1H-imidazol-1-yl)methyl]pyridine
CID 3835786
3-Cyanoimidazo(1,2-a)pyridine
CID 80330
3H-Imidazo(4,5-b)pyridine, 3-(4-chlorophenyl)-
CID 3076804
Imidazo[1,2-a]pyridin-6-amine
CID 11344042
7-Chloroimidazo(1,2-a)pyridine
CID 19695901

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine?
The IUPAC name of 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine (CID 166563498) is 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine.
What is the SMILES notation for 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine?
The canonical SMILES for 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine is [C-]#[N+]c1cnc2c(I)ccc(Cl)n12.
What is the InChIKey of 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine?
The InChIKey is CEQBQWKNRLDGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClIN3/c1-11-7-4-12-8-5(10)2-3-6(9)13(7)8/h2-4H.
What are the key properties of 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine?
5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 303.49 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-iodo-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 166563498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).