2,3-dibromo-5-chloropyridine-4-carboxylic acid

C6H2Br2ClNO2 — CID 154729339

IUPAC2,3-dibromo-5-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(Br)c1Br
InChIInChI=1S/C6H2Br2ClNO2/c7-4-3(6(11)12)2(9)1-10-5(4)8/h1H,(H,11,12)
InChIKeyNLVSNKRORBVFFQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.96
Rot. Bonds1

About 2,3-dibromo-5-chloropyridine-4-carboxylic acid

2,3-dibromo-5-chloropyridine-4-carboxylic acid (PubChem CID 154729339) has the molecular formula C6H2Br2ClNO2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2,3-dibromo-5-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,3-dibromo-5-chloropyridine-4-carboxylic acid
PubChem CID154729339
Molecular FormulaC6H2Br2ClNO2
Molecular Weight315.35 g/mol
Exact Mass312.81
IUPAC Name2,3-dibromo-5-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(Br)c1Br
InChIInChI=1S/C6H2Br2ClNO2/c7-4-3(6(11)12)2(9)1-10-5(4)8/h1H,(H,11,12)
InChIKeyNLVSNKRORBVFFQ-UHFFFAOYSA-N
XLogP2.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-chloropyridine-4-carboxylic acid?
The IUPAC name of 2,3-dibromo-5-chloropyridine-4-carboxylic acid (CID 154729339) is 2,3-dibromo-5-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2,3-dibromo-5-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2,3-dibromo-5-chloropyridine-4-carboxylic acid is O=C(O)c1c(Cl)cnc(Br)c1Br.
What is the InChIKey of 2,3-dibromo-5-chloropyridine-4-carboxylic acid?
The InChIKey is NLVSNKRORBVFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2ClNO2/c7-4-3(6(11)12)2(9)1-10-5(4)8/h1H,(H,11,12).
What are the key properties of 2,3-dibromo-5-chloropyridine-4-carboxylic acid?
2,3-dibromo-5-chloropyridine-4-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 154729339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).