2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid

C8H5BrClF2NO2 — CID 119012331

IUPAC2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(CCl)nc1Br
InChIInChI=1S/C8H5BrClF2NO2/c9-6-4(8(14)15)1-3(7(11)12)5(2-10)13-6/h1,7H,2H2,(H,14,15)
InChIKeyYYYZABDUAUVSAW-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.22
Rot. Bonds3

About 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid

2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 119012331) has the molecular formula C8H5BrClF2NO2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID119012331
Molecular FormulaC8H5BrClF2NO2
Molecular Weight300.49 g/mol
Exact Mass298.92
IUPAC Name2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(CCl)nc1Br
InChIInChI=1S/C8H5BrClF2NO2/c9-6-4(8(14)15)1-3(7(11)12)5(2-10)13-6/h1,7H,2H2,(H,14,15)
InChIKeyYYYZABDUAUVSAW-UHFFFAOYSA-N
XLogP3.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012569
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119006901
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118838293
2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118804299
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
CID 118826934
2-(chloromethyl)-6-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118804269
4-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130070692
methyl 6-(chloromethyl)-2-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 133107008
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 119018210
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid (CID 119012331) is 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cc(C(F)F)c(CCl)nc1Br.
What is the InChIKey of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is YYYZABDUAUVSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO2/c9-6-4(8(14)15)1-3(7(11)12)5(2-10)13-6/h1,7H,2H2,(H,14,15).
What are the key properties of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid?
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 300.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 119012331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).