6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid

C12H8BrN3O3 — CID 59408766

IUPAC6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Br)nc2)nc1
InChIInChI=1S/C12H8BrN3O3/c13-9-3-1-7(5-14-9)11(17)16-10-4-2-8(6-15-10)12(18)19/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyKUDZNMXLXDCYSH-UHFFFAOYSA-N
MW322.12 g/mol
LogP2.19
Rot. Bonds3

About 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid

6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 59408766) has the molecular formula C12H8BrN3O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID59408766
Molecular FormulaC12H8BrN3O3
Molecular Weight322.12 g/mol
Exact Mass320.97
IUPAC Name6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Br)nc2)nc1
InChIInChI=1S/C12H8BrN3O3/c13-9-3-1-7(5-14-9)11(17)16-10-4-2-8(6-15-10)12(18)19/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyKUDZNMXLXDCYSH-UHFFFAOYSA-N
XLogP2.19
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 59408766) is 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2ccc(Br)nc2)nc1.
What is the InChIKey of 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is KUDZNMXLXDCYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3/c13-9-3-1-7(5-14-9)11(17)16-10-4-2-8(6-15-10)12(18)19/h1-6H,(H,18,19)(H,15,16,17).
What are the key properties of 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 322.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-bromopyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 59408766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).