2-chloro-6-iodo-3-propoxypyridine

C8H9ClINO — CID 53440871

IUPAC2-chloro-6-iodo-3-propoxypyridine
SMILESCCCOc1ccc(I)nc1Cl
InChIInChI=1S/C8H9ClINO/c1-2-5-12-6-3-4-7(10)11-8(6)9/h3-4H,2,5H2,1H3
InChIKeyRXWJVDRMYJPTCW-UHFFFAOYSA-N
MW297.52 g/mol
LogP3.13
Rot. Bonds3

About 2-chloro-6-iodo-3-propoxypyridine

2-chloro-6-iodo-3-propoxypyridine (PubChem CID 53440871) has the molecular formula C8H9ClINO and a molecular weight of 297.52 g/mol. Its IUPAC name is 2-chloro-6-iodo-3-propoxypyridine.

Molecular Properties

Compound Name2-chloro-6-iodo-3-propoxypyridine
PubChem CID53440871
Molecular FormulaC8H9ClINO
Molecular Weight297.52 g/mol
Exact Mass296.94
IUPAC Name2-chloro-6-iodo-3-propoxypyridine
SMILESCCCOc1ccc(I)nc1Cl
InChIInChI=1S/C8H9ClINO/c1-2-5-12-6-3-4-7(10)11-8(6)9/h3-4H,2,5H2,1H3
InChIKeyRXWJVDRMYJPTCW-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-iodo-3-propoxypyridine 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

2-[(2-chloro-6-iodo-3-pyridinyl)oxy]-N,N-diethylethanamine
CID 154734283
(6-chloro-5-propoxy-2-pyridinyl)methanol
CID 42626276
2-chloro-6-iodo-3-(trideuteriomethoxy)pyridine
CID 162341579
tert-butyl 2-[(2-chloro-6-iodo-3-pyridinyl)oxy]acetate
CID 118095879
2-[(2-chloro-6-methyl-3-pyridinyl)oxy]ethanol
CID 130686147
[5-[(2-chloro-6-iodo-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 118420070
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
CID 174570347
CID 174570347
4-chloro-3-propoxypyridine
CID 91927090
potassium 2-propoxyphenolate
CID 23686802
5-chloro-2-propoxybenzoyl chloride
CID 12863236
5-iodo-2-propoxybenzoic acid
CID 10804556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-iodo-3-propoxypyridine?
The IUPAC name of 2-chloro-6-iodo-3-propoxypyridine (CID 53440871) is 2-chloro-6-iodo-3-propoxypyridine.
What is the SMILES notation for 2-chloro-6-iodo-3-propoxypyridine?
The canonical SMILES for 2-chloro-6-iodo-3-propoxypyridine is CCCOc1ccc(I)nc1Cl.
What is the InChIKey of 2-chloro-6-iodo-3-propoxypyridine?
The InChIKey is RXWJVDRMYJPTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClINO/c1-2-5-12-6-3-4-7(10)11-8(6)9/h3-4H,2,5H2,1H3.
What are the key properties of 2-chloro-6-iodo-3-propoxypyridine?
2-chloro-6-iodo-3-propoxypyridine has a molecular weight of 297.52 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-iodo-3-propoxypyridine is sourced from PubChem (CID 53440871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).