3-(2,6-dibromoanilino)pyridine-4-carboxylic acid

C12H8Br2N2O2 — CID 107600894

IUPAC3-(2,6-dibromoanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1c(Br)cccc1Br
InChIInChI=1S/C12H8Br2N2O2/c13-8-2-1-3-9(14)11(8)16-10-6-15-5-4-7(10)12(17)18/h1-6,16H,(H,17,18)
InChIKeyASZRBJIWSGWRMT-UHFFFAOYSA-N
MW372.02 g/mol
LogP4.05
Rot. Bonds3

About 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid

3-(2,6-dibromoanilino)pyridine-4-carboxylic acid (PubChem CID 107600894) has the molecular formula C12H8Br2N2O2 and a molecular weight of 372.02 g/mol. Its IUPAC name is 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dibromoanilino)pyridine-4-carboxylic acid
PubChem CID107600894
Molecular FormulaC12H8Br2N2O2
Molecular Weight372.02 g/mol
Exact Mass369.90
IUPAC Name3-(2,6-dibromoanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1c(Br)cccc1Br
InChIInChI=1S/C12H8Br2N2O2/c13-8-2-1-3-9(14)11(8)16-10-6-15-5-4-7(10)12(17)18/h1-6,16H,(H,17,18)
InChIKeyASZRBJIWSGWRMT-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

3-[(2-bromo-6-fluorobenzoyl)amino]pyridine-4-carboxylic acid
CID 114558544
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
3-(2-phenylanilino)pyridine-4-carboxylic acid
CID 71766720
3-bromo-2-(pyridin-3-ylcarbamoylamino)benzoic acid
CID 63113086
3-(quinolin-5-ylamino)pyridine-4-carboxylic acid
CID 105062537
3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 118961751
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
3-(2-bromophenoxy)pyridine-4-carboxylic acid
CID 114288896
3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062675
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
1-(3-anilino-4-pyridinyl)propan-1-one
CID 90831497

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid (CID 107600894) is 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid is O=C(O)c1ccncc1Nc1c(Br)cccc1Br.
What is the InChIKey of 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid?
The InChIKey is ASZRBJIWSGWRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O2/c13-8-2-1-3-9(14)11(8)16-10-6-15-5-4-7(10)12(17)18/h1-6,16H,(H,17,18).
What are the key properties of 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid?
3-(2,6-dibromoanilino)pyridine-4-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 3-(2,6-dibromoanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 107600894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).