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

C7H3Br2F2NO2 — CID 118845283

IUPAC4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Br)cc(Br)c1C(F)F
InChIInChI=1S/C7H3Br2F2NO2/c8-2-1-3(9)12-5(7(13)14)4(2)6(10)11/h1,6H,(H,13,14)
InChIKeyBGAKBCXBTMBROL-UHFFFAOYSA-N
MW330.91 g/mol
LogP3.24
Rot. Bonds2

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

4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118845283) has the molecular formula C7H3Br2F2NO2 and a molecular weight of 330.91 g/mol. Its IUPAC name is 4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID118845283
Molecular FormulaC7H3Br2F2NO2
Molecular Weight330.91 g/mol
Exact Mass328.85
IUPAC Name4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Br)cc(Br)c1C(F)F
InChIInChI=1S/C7H3Br2F2NO2/c8-2-1-3(9)12-5(7(13)14)4(2)6(10)11/h1,6H,(H,13,14)
InChIKeyBGAKBCXBTMBROL-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

4-bromo-3-(difluoromethyl)-6-iodopyridine-2-carboxylic acid
CID 118844256
2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118818465
6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130068422
6-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carboxylic acid
CID 130109726
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid
CID 118823505
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130109738
methyl 6-bromo-4-chloro-3-(difluoromethyl)pyridine-2-carboxylate
CID 130108301
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130109023
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674290

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid (CID 118845283) is 4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1nc(Br)cc(Br)c1C(F)F.
What is the InChIKey of 4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is BGAKBCXBTMBROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F2NO2/c8-2-1-3(9)12-5(7(13)14)4(2)6(10)11/h1,6H,(H,13,14).
What are the key properties of 4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid?
4,6-dibromo-3-(difluoromethyl)pyridine-2-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 4,6-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118845283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).