4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine

C7H5ClF2INO — CID 118805504

IUPAC4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine
SMILESCOc1nc(I)cc(Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2INO/c1-13-7-5(6(9)10)3(8)2-4(11)12-7/h2,6H,1H3
InChIKeySQUONFHGGGRXKW-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.29
Rot. Bonds2

About 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine

4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine (PubChem CID 118805504) has the molecular formula C7H5ClF2INO and a molecular weight of 319.48 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine
PubChem CID118805504
Molecular FormulaC7H5ClF2INO
Molecular Weight319.48 g/mol
Exact Mass318.91
IUPAC Name4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine
SMILESCOc1nc(I)cc(Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2INO/c1-13-7-5(6(9)10)3(8)2-4(11)12-7/h2,6H,1H3
InChIKeySQUONFHGGGRXKW-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.29
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 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine?
The IUPAC name of 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine (CID 118805504) is 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine is COc1nc(I)cc(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine?
The InChIKey is SQUONFHGGGRXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2INO/c1-13-7-5(6(9)10)3(8)2-4(11)12-7/h2,6H,1H3.
What are the key properties of 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine?
4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine has a molecular weight of 319.48 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine is sourced from PubChem (CID 118805504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).