5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine

C6H2ClF3IN — CID 130071572

IUPAC5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine
SMILESFc1nc(C(F)F)c(I)cc1Cl
InChIInChI=1S/C6H2ClF3IN/c7-2-1-3(11)4(5(8)9)12-6(2)10/h1,5H
InChIKeyBBTUAZFENMZUTP-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.42
Rot. Bonds1

About 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine

5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine (PubChem CID 130071572) has the molecular formula C6H2ClF3IN and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine
PubChem CID130071572
Molecular FormulaC6H2ClF3IN
Molecular Weight307.44 g/mol
Exact Mass306.89
IUPAC Name5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine
SMILESFc1nc(C(F)F)c(I)cc1Cl
InChIInChI=1S/C6H2ClF3IN/c7-2-1-3(11)4(5(8)9)12-6(2)10/h1,5H
InChIKeyBBTUAZFENMZUTP-UHFFFAOYSA-N
XLogP3.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine 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

6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015
[2-chloro-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118990772
3-(bromomethyl)-2-chloro-6-(difluoromethyl)-5-iodopyridine
CID 130073132
5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102453
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carbaldehyde
CID 130073315
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520
methyl 2-[3-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673837
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
[6-(difluoromethyl)-3-fluoro-5-iodo-2-pyridinyl]methanol
CID 118854432
6-(difluoromethyl)-2,5-diiodopyridin-3-amine
CID 130100401
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-sulfonamide
CID 130073589

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine (CID 130071572) is 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine is Fc1nc(C(F)F)c(I)cc1Cl.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine?
The InChIKey is BBTUAZFENMZUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3IN/c7-2-1-3(11)4(5(8)9)12-6(2)10/h1,5H.
What are the key properties of 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine?
5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine has a molecular weight of 307.44 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-6-fluoro-3-iodopyridine is sourced from PubChem (CID 130071572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).