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

C13H10Br2N2O3 — CID 103414759

IUPAC4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1cc(Nc2ccncc2C(=O)O)c(Br)cc1Br
InChIInChI=1S/C13H10Br2N2O3/c1-20-12-5-11(8(14)4-9(12)15)17-10-2-3-16-6-7(10)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyPDDCQXDRWPNJBW-UHFFFAOYSA-N
MW402.04 g/mol
LogP4.06
Rot. Bonds4

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

4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid (PubChem CID 103414759) has the molecular formula C13H10Br2N2O3 and a molecular weight of 402.04 g/mol. Its IUPAC name is 4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
PubChem CID103414759
Molecular FormulaC13H10Br2N2O3
Molecular Weight402.04 g/mol
Exact Mass399.91
IUPAC Name4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1cc(Nc2ccncc2C(=O)O)c(Br)cc1Br
InChIInChI=1S/C13H10Br2N2O3/c1-20-12-5-11(8(14)4-9(12)15)17-10-2-3-16-6-7(10)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyPDDCQXDRWPNJBW-UHFFFAOYSA-N
XLogP4.06
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.04
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 81232706
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
CID 107372598
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414782
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
4-[4-bromo-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244664
methyl 4-anilinopyridine-3-carboxylate
CID 119016910

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid (CID 103414759) is 4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid is COc1cc(Nc2ccncc2C(=O)O)c(Br)cc1Br.
What is the InChIKey of 4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is PDDCQXDRWPNJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O3/c1-20-12-5-11(8(14)4-9(12)15)17-10-2-3-16-6-7(10)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid?
4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 402.04 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 103414759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).