6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid

C7H3BrF2INO2 — CID 130068422

IUPAC6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Br)cc(C(F)F)c1I
InChIInChI=1S/C7H3BrF2INO2/c8-3-1-2(6(9)10)4(11)5(12-3)7(13)14/h1,6H,(H,13,14)
InChIKeyDTKUQJQLPPBWRH-UHFFFAOYSA-N
MW377.91 g/mol
LogP3.08
Rot. Bonds2

About 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid

6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid (PubChem CID 130068422) has the molecular formula C7H3BrF2INO2 and a molecular weight of 377.91 g/mol. Its IUPAC name is 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
PubChem CID130068422
Molecular FormulaC7H3BrF2INO2
Molecular Weight377.91 g/mol
Exact Mass376.84
IUPAC Name6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Br)cc(C(F)F)c1I
InChIInChI=1S/C7H3BrF2INO2/c8-3-1-2(6(9)10)4(11)5(12-3)7(13)14/h1,6H,(H,13,14)
InChIKeyDTKUQJQLPPBWRH-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.91
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118845283
6-bromo-2-chloro-4-(difluoromethyl)-3-iodopyridine
CID 130107870
6-bromo-4-(difluoromethyl)-3-iodopyridin-2-amine
CID 119005201
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119014355
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
3-bromo-5-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 130069422
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
4-bromo-3-(difluoromethyl)-6-iodopyridine-2-carboxylic acid
CID 118844256
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The IUPAC name of 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid (CID 130068422) is 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The canonical SMILES for 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid is O=C(O)c1nc(Br)cc(C(F)F)c1I.
What is the InChIKey of 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The InChIKey is DTKUQJQLPPBWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2INO2/c8-3-1-2(6(9)10)4(11)5(12-3)7(13)14/h1,6H,(H,13,14).
What are the key properties of 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid has a molecular weight of 377.91 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid is sourced from PubChem (CID 130068422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).