2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid

C13H10Br2N2O2 — CID 113378581

IUPAC2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(Nc2cc(Br)ccc2Br)n1
InChIInChI=1S/C13H10Br2N2O2/c1-7-4-8(13(18)19)5-12(16-7)17-11-6-9(14)2-3-10(11)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyLBYVRSRNYFFAIH-UHFFFAOYSA-N
MW386.04 g/mol
LogP4.36
Rot. Bonds3

About 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid

2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid (PubChem CID 113378581) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid
PubChem CID113378581
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC Name2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(Nc2cc(Br)ccc2Br)n1
InChIInChI=1S/C13H10Br2N2O2/c1-7-4-8(13(18)19)5-12(16-7)17-11-6-9(14)2-3-10(11)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyLBYVRSRNYFFAIH-UHFFFAOYSA-N
XLogP4.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid (CID 113378581) is 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(Nc2cc(Br)ccc2Br)n1.
What is the InChIKey of 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid?
The InChIKey is LBYVRSRNYFFAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c1-7-4-8(13(18)19)5-12(16-7)17-11-6-9(14)2-3-10(11)15/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid?
2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid has a molecular weight of 386.04 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dibromoanilino)-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 113378581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).