5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid

C10H6BrN3O2 — CID 82168679

IUPAC5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccn2)ncc1Br
InChIInChI=1S/C10H6BrN3O2/c11-6-5-13-9(14-8(6)10(15)16)7-3-1-2-4-12-7/h1-5H,(H,15,16)
InChIKeyHWZIJOJIPXCPIX-UHFFFAOYSA-N
MW280.08 g/mol
LogP2.00
Rot. Bonds2

About 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid

5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid (PubChem CID 82168679) has the molecular formula C10H6BrN3O2 and a molecular weight of 280.08 g/mol. Its IUPAC name is 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
PubChem CID82168679
Molecular FormulaC10H6BrN3O2
Molecular Weight280.08 g/mol
Exact Mass278.96
IUPAC Name5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccn2)ncc1Br
InChIInChI=1S/C10H6BrN3O2/c11-6-5-13-9(14-8(6)10(15)16)7-3-1-2-4-12-7/h1-5H,(H,15,16)
InChIKeyHWZIJOJIPXCPIX-UHFFFAOYSA-N
XLogP2.00
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512230
5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512241
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
5-bromo-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82168681
5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid
CID 106512146
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995
5-bromo-2-(3-hydroxy-3H-inden-1-yl)pyrimidine-4-carboxylic acid
CID 67985585
6,8-dimethyl-2-pyridin-2-ylquinazoline-4-carboxylic acid
CID 177320141
1-(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)ethanone
CID 62771013
2-amino-5-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271783
5-bromo-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid
CID 106512114
5-bromo-2-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
CID 106512106

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid (CID 82168679) is 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccccn2)ncc1Br.
What is the InChIKey of 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is HWZIJOJIPXCPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O2/c11-6-5-13-9(14-8(6)10(15)16)7-3-1-2-4-12-7/h1-5H,(H,15,16).
What are the key properties of 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 280.08 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82168679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).