5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine

C6H2ClF3IN — CID 130071565

IUPAC5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine
SMILESFc1ncc(Cl)c(I)c1C(F)F
InChIInChI=1S/C6H2ClF3IN/c7-2-1-12-6(10)3(4(2)11)5(8)9/h1,5H
InChIKeyIMUJUEFXYSQFCR-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.42
Rot. Bonds1

About 5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine

5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine (PubChem CID 130071565) has the molecular formula C6H2ClF3IN and a molecular weight of 307.44 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine
PubChem CID130071565
Molecular FormulaC6H2ClF3IN
Molecular Weight307.44 g/mol
Exact Mass306.89
IUPAC Name5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine
SMILESFc1ncc(Cl)c(I)c1C(F)F
InChIInChI=1S/C6H2ClF3IN/c7-2-1-12-6(10)3(4(2)11)5(8)9/h1,5H
InChIKeyIMUJUEFXYSQFCR-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'}

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Related Compounds

5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-ol
CID 130079220
5-(difluoromethyl)-6-fluoro-4-iodopyridin-3-amine
CID 130103870
[5-chloro-3-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 130071715
5-chloro-4-(difluoromethyl)-2,3-diiodopyridine
CID 130100430
5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130072218
5-chloro-2-(difluoromethyl)-3,4-diiodopyridine
CID 130100445
methyl 5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxylate
CID 134685177
4-(difluoromethyl)-2-fluoro-3-iodo-5-methylpyridine
CID 118840077
5-(difluoromethyl)-2-fluoro-3,4-diiodopyridine
CID 130100485
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
4-(difluoromethyl)-6-fluoro-5-iodopyridine-3-carbaldehyde
CID 118818484
3-(difluoromethyl)-2-fluoro-5-iodopyridine-4-carbonitrile
CID 118799460

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine?
The IUPAC name of 5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine (CID 130071565) is 5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine is Fc1ncc(Cl)c(I)c1C(F)F.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine?
The InChIKey is IMUJUEFXYSQFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3IN/c7-2-1-12-6(10)3(4(2)11)5(8)9/h1,5H.
What are the key properties of 5-chloro-3-(difluoromethyl)-2-fluoro-4-iodopyridine?
5-chloro-3-(difluoromethyl)-2-fluoro-4-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-3-(difluoromethyl)-2-fluoro-4-iodopyridine is sourced from PubChem (CID 130071565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).