2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid

C7H3Br2F2NO2 — CID 119004021

IUPAC2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1c(Br)cnc(Br)c1C(F)F
InChIInChI=1S/C7H3Br2F2NO2/c8-2-1-12-5(9)4(6(10)11)3(2)7(13)14/h1,6H,(H,13,14)
InChIKeyMSPNGMPEIVOFPN-UHFFFAOYSA-N
MW330.91 g/mol
LogP3.24
Rot. Bonds2

About 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid

2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid (PubChem CID 119004021) has the molecular formula C7H3Br2F2NO2 and a molecular weight of 330.91 g/mol. Its IUPAC name is 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
PubChem CID119004021
Molecular FormulaC7H3Br2F2NO2
Molecular Weight330.91 g/mol
Exact Mass328.85
IUPAC Name2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1c(Br)cnc(Br)c1C(F)F
InChIInChI=1S/C7H3Br2F2NO2/c8-2-1-12-5(9)4(6(10)11)3(2)7(13)14/h1,6H,(H,13,14)
InChIKeyMSPNGMPEIVOFPN-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

5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070168
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119010704
2-bromo-4-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118992528
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130109738
5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
CID 130069525
2-[4,6-dibromo-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119024098
5-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070367

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid (CID 119004021) is 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1c(Br)cnc(Br)c1C(F)F.
What is the InChIKey of 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is MSPNGMPEIVOFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2F2NO2/c8-2-1-12-5(9)4(6(10)11)3(2)7(13)14/h1,6H,(H,13,14).
What are the key properties of 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid?
2,5-dibromo-3-(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 2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 119004021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).