5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride

C7H2BrClF2INO — CID 130068518

IUPAC5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(I)c(Br)c1C(F)F
InChIInChI=1S/C7H2BrClF2INO/c8-4-3(6(10)11)2(5(9)14)1-13-7(4)12/h1,6H
InChIKeyFFPROCOARPPDDH-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.77
Rot. Bonds2

About 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride

5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride (PubChem CID 130068518) has the molecular formula C7H2BrClF2INO and a molecular weight of 396.36 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
PubChem CID130068518
Molecular FormulaC7H2BrClF2INO
Molecular Weight396.36 g/mol
Exact Mass394.80
IUPAC Name5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cnc(I)c(Br)c1C(F)F
InChIInChI=1S/C7H2BrClF2INO/c8-4-3(6(10)11)2(5(9)14)1-13-7(4)12/h1,6H
InChIKeyFFPROCOARPPDDH-UHFFFAOYSA-N
XLogP3.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102239
5-(difluoromethyl)-6-iodo-4-nitropyridine-3-carbonyl chloride
CID 133100987
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
2-[4-bromo-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 130068481
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride
CID 130100732
4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
CID 133099697
6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 134684536
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
CID 118835162

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride?
The IUPAC name of 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride (CID 130068518) is 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride is O=C(Cl)c1cnc(I)c(Br)c1C(F)F.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride?
The InChIKey is FFPROCOARPPDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2INO/c8-4-3(6(10)11)2(5(9)14)1-13-7(4)12/h1,6H.
What are the key properties of 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride?
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride has a molecular weight of 396.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride is sourced from PubChem (CID 130068518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).