3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid

C7H3Br2F2NO2 — CID 130099066

IUPAC3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Br)nc(C(F)F)c1Br
InChIInChI=1S/C7H3Br2F2NO2/c8-3-1-2(7(13)14)4(9)5(12-3)6(10)11/h1,6H,(H,13,14)
InChIKeyHCYYTICBQKEIFJ-UHFFFAOYSA-N
MW330.91 g/mol
LogP3.24
Rot. Bonds2

About 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid

3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid (PubChem CID 130099066) has the molecular formula C7H3Br2F2NO2 and a molecular weight of 330.91 g/mol. Its IUPAC name is 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid
PubChem CID130099066
Molecular FormulaC7H3Br2F2NO2
Molecular Weight330.91 g/mol
Exact Mass328.85
IUPAC Name3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Br)nc(C(F)F)c1Br
InChIInChI=1S/C7H3Br2F2NO2/c8-3-1-2(7(13)14)4(9)5(12-3)6(10)11/h1,6H,(H,13,14)
InChIKeyHCYYTICBQKEIFJ-UHFFFAOYSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.91
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carboxylic acid
CID 130109726
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130109023
6-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 118991988
2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
2-(bromomethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 130081939
5-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 130081975
4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118845283
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
6-bromo-2-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130109276
5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674275

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid (CID 130099066) is 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(Br)nc(C(F)F)c1Br.
What is the InChIKey of 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is HCYYTICBQKEIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F2NO2/c8-3-1-2(7(13)14)4(9)5(12-3)6(10)11/h1,6H,(H,13,14).
What are the key properties of 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid?
3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 330.91 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 130099066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).