5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid

C11H6Br2N2O3S — CID 114019626

IUPAC5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C11H6Br2N2O3S/c12-8-2-7(9(13)19-8)10(16)15-6-1-5(11(17)18)3-14-4-6/h1-4H,(H,15,16)(H,17,18)
InChIKeyZDSBWBRSZXFRFV-UHFFFAOYSA-N
MW406.06 g/mol
LogP3.62
Rot. Bonds3

About 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid

5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 114019626) has the molecular formula C11H6Br2N2O3S and a molecular weight of 406.06 g/mol. Its IUPAC name is 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID114019626
Molecular FormulaC11H6Br2N2O3S
Molecular Weight406.06 g/mol
Exact Mass403.85
IUPAC Name5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C11H6Br2N2O3S/c12-8-2-7(9(13)19-8)10(16)15-6-1-5(11(17)18)3-14-4-6/h1-4H,(H,15,16)(H,17,18)
InChIKeyZDSBWBRSZXFRFV-UHFFFAOYSA-N
XLogP3.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.06
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738893
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
CID 63154147
5-[(5-bromo-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 65308224
5-[(4-methylthiophene-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 79802054
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 156760584
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677
5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid
CID 63154178
5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
CID 104669628
2-[(2,5-dibromothiophene-3-carbonyl)amino]benzoic acid
CID 104952989
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pyridine-3-carboxylic acid
CID 63153547

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 114019626) is 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)c2cc(Br)sc2Br)c1.
What is the InChIKey of 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is ZDSBWBRSZXFRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2O3S/c12-8-2-7(9(13)19-8)10(16)15-6-1-5(11(17)18)3-14-4-6/h1-4H,(H,15,16)(H,17,18).
What are the key properties of 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 406.06 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dibromothiophene-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114019626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).