2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine

C7H4ClF3IN — CID 118855239

IUPAC2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
SMILESFc1c(C(F)F)cc(I)nc1CCl
InChIInChI=1S/C7H4ClF3IN/c8-2-4-6(9)3(7(10)11)1-5(12)13-4/h1,7H,2H2
InChIKeyUKBZBXMFCYILQK-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.50
Rot. Bonds2

About 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine

2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine (PubChem CID 118855239) has the molecular formula C7H4ClF3IN and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
PubChem CID118855239
Molecular FormulaC7H4ClF3IN
Molecular Weight321.47 g/mol
Exact Mass320.90
IUPAC Name2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
SMILESFc1c(C(F)F)cc(I)nc1CCl
InChIInChI=1S/C7H4ClF3IN/c8-2-4-6(9)3(7(10)11)1-5(12)13-4/h1,7H,2H2
InChIKeyUKBZBXMFCYILQK-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
CID 118837290
6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130104065
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine
CID 118809962
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 130080071
4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 118828941
ethyl 2-[2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101084
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridin-2-amine
CID 119019561
6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine
CID 130105343
3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
CID 130071789

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine?
The IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine (CID 118855239) is 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine?
The canonical SMILES for 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine is Fc1c(C(F)F)cc(I)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine?
The InChIKey is UKBZBXMFCYILQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3IN/c8-2-4-6(9)3(7(10)11)1-5(12)13-4/h1,7H,2H2.
What are the key properties of 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine?
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine has a molecular weight of 321.47 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine is sourced from PubChem (CID 118855239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).