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

C7H4BrF3IN — CID 130080016

IUPAC3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
SMILESFc1nc(I)cc(C(F)F)c1CBr
InChIInChI=1S/C7H4BrF3IN/c8-2-4-3(6(9)10)1-5(12)13-7(4)11/h1,6H,2H2
InChIKeyWDNIXJNJRFKKIY-UHFFFAOYSA-N
MW365.92 g/mol
LogP3.66
Rot. Bonds2

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

3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine (PubChem CID 130080016) has the molecular formula C7H4BrF3IN and a molecular weight of 365.92 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine.

Molecular Properties

Compound Name3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
PubChem CID130080016
Molecular FormulaC7H4BrF3IN
Molecular Weight365.92 g/mol
Exact Mass364.85
IUPAC Name3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
SMILESFc1nc(I)cc(C(F)F)c1CBr
InChIInChI=1S/C7H4BrF3IN/c8-2-4-3(6(9)10)1-5(12)13-7(4)11/h1,6H,2H2
InChIKeyWDNIXJNJRFKKIY-UHFFFAOYSA-N
XLogP3.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.92
LogP ≤ 53.66
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

4-(difluoromethyl)-2-fluoro-6-iodopyridin-3-amine
CID 130103860
2-[5-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130082063
[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
CID 118848266
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
[4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine
CID 130085965
3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
CID 130105324
2-(bromomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118815747
4-(difluoromethyl)-2-fluoro-6-iodopyridine-3-carbonyl chloride
CID 130080397
3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023
ethyl 2-[2-(bromomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101225
3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130087013
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine?
The IUPAC name of 3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine (CID 130080016) is 3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine.
What is the SMILES notation for 3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine?
The canonical SMILES for 3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine is Fc1nc(I)cc(C(F)F)c1CBr.
What is the InChIKey of 3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine?
The InChIKey is WDNIXJNJRFKKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3IN/c8-2-4-3(6(9)10)1-5(12)13-7(4)11/h1,6H,2H2.
What are the key properties of 3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine?
3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine has a molecular weight of 365.92 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine is sourced from PubChem (CID 130080016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).