4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid

C12H8BrN3O3 — CID 113384992

IUPAC4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(Br)cn1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H8BrN3O3/c13-8-1-2-10(15-6-8)16-11(17)7-3-4-14-9(5-7)12(18)19/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyXJDWRHJQTXUXJW-UHFFFAOYSA-N
MW322.12 g/mol
LogP2.19
Rot. Bonds3

About 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid

4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 113384992) has the molecular formula C12H8BrN3O3 and a molecular weight of 322.12 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID113384992
Molecular FormulaC12H8BrN3O3
Molecular Weight322.12 g/mol
Exact Mass320.97
IUPAC Name4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccc(Br)cn1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C12H8BrN3O3/c13-8-1-2-10(15-6-8)16-11(17)7-3-4-14-9(5-7)12(18)19/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyXJDWRHJQTXUXJW-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-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
4-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107800302
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
4-(thiadiazol-5-ylcarbamoyl)pyridine-2-carboxylic acid
CID 114913611
N-(5-bromo-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
CID 63212020

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid (CID 113384992) is 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid is O=C(Nc1ccc(Br)cn1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XJDWRHJQTXUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O3/c13-8-1-2-10(15-6-8)16-11(17)7-3-4-14-9(5-7)12(18)19/h1-6H,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid?
4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-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 4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 113384992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).