2-(2,4-dibromoanilino)pyridine-3-carboxylic acid

C12H8Br2N2O2 — CID 63537003

IUPAC2-(2,4-dibromoanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H8Br2N2O2/c13-7-3-4-10(9(14)6-7)16-11-8(12(17)18)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyBXHJDQZRRPMMRO-UHFFFAOYSA-N
MW372.02 g/mol
LogP4.05
Rot. Bonds3

About 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid

2-(2,4-dibromoanilino)pyridine-3-carboxylic acid (PubChem CID 63537003) has the molecular formula C12H8Br2N2O2 and a molecular weight of 372.02 g/mol. Its IUPAC name is 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dibromoanilino)pyridine-3-carboxylic acid
PubChem CID63537003
Molecular FormulaC12H8Br2N2O2
Molecular Weight372.02 g/mol
Exact Mass369.90
IUPAC Name2-(2,4-dibromoanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccc(Br)cc1Br
InChIInChI=1S/C12H8Br2N2O2/c13-7-3-4-10(9(14)6-7)16-11-8(12(17)18)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyBXHJDQZRRPMMRO-UHFFFAOYSA-N
XLogP4.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-cyanoanilino)pyridine-3-carboxylic acid
CID 107799260
5-bromo-2-(2,4-dibromoanilino)benzoic acid
CID 12925320
2-(4-bromo-2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 65499396
2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
CID 107575443
3-bromo-N-(4-bromo-2-chlorophenyl)pyridin-2-amine
CID 55219349
2-[(3-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63652356
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
5-bromo-2-(pyrimidin-2-ylcarbamoylamino)benzoic acid
CID 62073329
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
4-(2-bromo-4-fluoroanilino)pyrimidine-5-carboxylic acid
CID 114214052

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid (CID 63537003) is 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid?
The InChIKey is BXHJDQZRRPMMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O2/c13-7-3-4-10(9(14)6-7)16-11-8(12(17)18)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid?
2-(2,4-dibromoanilino)pyridine-3-carboxylic acid has a molecular weight of 372.02 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromoanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63537003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).