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

C6H2BrF3IN — CID 119010566

IUPAC2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine
SMILESFc1c(I)cnc(Br)c1C(F)F
InChIInChI=1S/C6H2BrF3IN/c7-5-3(6(9)10)4(8)2(11)1-12-5/h1,6H
InChIKeyIEKZHQOXZNPPTM-UHFFFAOYSA-N
MW351.89 g/mol
LogP3.53
Rot. Bonds1

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

2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine (PubChem CID 119010566) has the molecular formula C6H2BrF3IN and a molecular weight of 351.89 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine
PubChem CID119010566
Molecular FormulaC6H2BrF3IN
Molecular Weight351.89 g/mol
Exact Mass350.84
IUPAC Name2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine
SMILESFc1c(I)cnc(Br)c1C(F)F
InChIInChI=1S/C6H2BrF3IN/c7-5-3(6(9)10)4(8)2(11)1-12-5/h1,6H
InChIKeyIEKZHQOXZNPPTM-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.89
LogP ≤ 53.53
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

2-bromo-3-(difluoromethyl)-4-fluoro-5-methylpyridine
CID 119002035
2-bromo-3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 130109576
3-(difluoromethyl)-4-fluoro-5-iodo-2-nitropyridine
CID 130079937
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
2-[6-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetic acid
CID 119011277
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119010704
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-sulfonyl chloride
CID 130109897
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
3-bromo-2-chloro-4-(difluoromethyl)-5-iodopyridine
CID 130107872
2-bromo-3-(difluoromethyl)-5-fluoro-4-nitropyridine
CID 119002402
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118999761

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine?
The IUPAC name of 2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine (CID 119010566) is 2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine is Fc1c(I)cnc(Br)c1C(F)F.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine?
The InChIKey is IEKZHQOXZNPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3IN/c7-5-3(6(9)10)4(8)2(11)1-12-5/h1,6H.
What are the key properties of 2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine?
2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine has a molecular weight of 351.89 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine is sourced from PubChem (CID 119010566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).