6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid

C12H8BrN3O3 — CID 62958252

IUPAC6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Br)cn2)nc1
InChIInChI=1S/C12H8BrN3O3/c13-8-2-3-9(14-6-8)11(17)16-10-4-1-7(5-15-10)12(18)19/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyRWPUJRYYFJUIDW-UHFFFAOYSA-N
MW322.12 g/mol
LogP2.19
Rot. Bonds3

About 6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid

6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 62958252) has the molecular formula C12H8BrN3O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID62958252
Molecular FormulaC12H8BrN3O3
Molecular Weight322.12 g/mol
Exact Mass320.97
IUPAC Name6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccc(Br)cn2)nc1
InChIInChI=1S/C12H8BrN3O3/c13-8-2-3-9(14-6-8)11(17)16-10-4-1-7(5-15-10)12(18)19/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyRWPUJRYYFJUIDW-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

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Related Compounds

N-(5-acetyl-2-pyridinyl)-5-bromopyridine-2-carboxamide
CID 75514307
N-(5-bromo-2-pyridinyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642521
4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
CID 113384992
6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304760
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62240088
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 43347442

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid (CID 62958252) is 6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2ccc(Br)cn2)nc1.
What is the InChIKey of 6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is RWPUJRYYFJUIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3/c13-8-2-3-9(14-6-8)11(17)16-10-4-1-7(5-15-10)12(18)19/h1-6H,(H,18,19)(H,15,16,17).
What are the key properties of 6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(5-bromopyridine-2-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-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 62958252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).