3-chloro-3-fluoro-4-iodo-2H-pyridine

C5H4ClFIN — CID 156782649

IUPAC3-chloro-3-fluoro-4-iodo-2H-pyridine
SMILESFC1(Cl)CN=CC=C1I
InChIInChI=1S/C5H4ClFIN/c6-5(7)3-9-2-1-4(5)8/h1-2H,3H2
InChIKeyFWZAPBPWHKSWJJ-UHFFFAOYSA-N
MW259.45 g/mol
LogP2.29
Rot. Bonds

About 3-chloro-3-fluoro-4-iodo-2H-pyridine

3-chloro-3-fluoro-4-iodo-2H-pyridine (PubChem CID 156782649) has the molecular formula C5H4ClFIN and a molecular weight of 259.45 g/mol. Its IUPAC name is 3-chloro-3-fluoro-4-iodo-2H-pyridine.

Molecular Properties

Compound Name3-chloro-3-fluoro-4-iodo-2H-pyridine
PubChem CID156782649
Molecular FormulaC5H4ClFIN
Molecular Weight259.45 g/mol
Exact Mass258.91
IUPAC Name3-chloro-3-fluoro-4-iodo-2H-pyridine
SMILESFC1(Cl)CN=CC=C1I
InChIInChI=1S/C5H4ClFIN/c6-5(7)3-9-2-1-4(5)8/h1-2H,3H2
InChIKeyFWZAPBPWHKSWJJ-UHFFFAOYSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-chloro-3-fluoro-4-iodo-2H-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

3-fluoro-3-iodo-2H-pyridine
CID 152065678
2-Fluoro-3-iodo-2,3-dihydropyridine
CID 166836928
3-chloro-3,5-difluoro-2H-pyridine
CID 71302934
(3S)-3-chloro-3,5-difluoro-2H-pyridine
CID 97114945
(3R)-3-chloro-3,5-difluoro-2H-pyridine
CID 97114946
3-chloro-3-iodo-2H-pyridine
CID 21644097
3-Chloro-2-iodo-2,3-dihydropyridine
CID 139495373

Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-fluoro-4-iodo-2H-pyridine?
The IUPAC name of 3-chloro-3-fluoro-4-iodo-2H-pyridine (CID 156782649) is 3-chloro-3-fluoro-4-iodo-2H-pyridine.
What is the SMILES notation for 3-chloro-3-fluoro-4-iodo-2H-pyridine?
The canonical SMILES for 3-chloro-3-fluoro-4-iodo-2H-pyridine is FC1(Cl)CN=CC=C1I.
What is the InChIKey of 3-chloro-3-fluoro-4-iodo-2H-pyridine?
The InChIKey is FWZAPBPWHKSWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFIN/c6-5(7)3-9-2-1-4(5)8/h1-2H,3H2.
What are the key properties of 3-chloro-3-fluoro-4-iodo-2H-pyridine?
3-chloro-3-fluoro-4-iodo-2H-pyridine has a molecular weight of 259.45 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-fluoro-4-iodo-2H-pyridine is sourced from PubChem (CID 156782649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).