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

C7H3BrF2INO2 — CID 118822684

IUPAC4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)cc(I)nc1C(F)F
InChIInChI=1S/C7H3BrF2INO2/c8-2-1-3(11)12-5(6(9)10)4(2)7(13)14/h1,6H,(H,13,14)
InChIKeyHIDQNLZSVPQBHD-UHFFFAOYSA-N
MW377.91 g/mol
LogP3.08
Rot. Bonds2

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

4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid (PubChem CID 118822684) has the molecular formula C7H3BrF2INO2 and a molecular weight of 377.91 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
PubChem CID118822684
Molecular FormulaC7H3BrF2INO2
Molecular Weight377.91 g/mol
Exact Mass376.84
IUPAC Name4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)cc(I)nc1C(F)F
InChIInChI=1S/C7H3BrF2INO2/c8-2-1-3(11)12-5(6(9)10)4(2)7(13)14/h1,6H,(H,13,14)
InChIKeyHIDQNLZSVPQBHD-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-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 130087240
4-bromo-3-(difluoromethyl)-6-iodopyridine-2-carboxylic acid
CID 118844256
3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
CID 130105526
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118817239
2-(bromomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118815747
methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
CID 130086278
ethyl 2-(difluoromethyl)-4-fluoro-6-iodopyridine-3-carboxylate
CID 133105663
4-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylic acid
CID 118812854
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477
6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075642
2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
CID 118998027
2-(difluoromethyl)-3-hydroxy-6-iodopyridine-4-carboxamide
CID 118837184

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid?
The IUPAC name of 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid (CID 118822684) is 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid is O=C(O)c1c(Br)cc(I)nc1C(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid?
The InChIKey is HIDQNLZSVPQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2INO2/c8-2-1-3(11)12-5(6(9)10)4(2)7(13)14/h1,6H,(H,13,14).
What are the key properties of 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid?
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-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 4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 118822684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).