5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid

C10H5BrClN3O2 — CID 106512241

IUPAC5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ncccc2Cl)ncc1Br
InChIInChI=1S/C10H5BrClN3O2/c11-5-4-14-9(15-7(5)10(16)17)8-6(12)2-1-3-13-8/h1-4H,(H,16,17)
InChIKeyJYQLTZZFJTXCNB-UHFFFAOYSA-N
MW314.53 g/mol
LogP2.65
Rot. Bonds2

About 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid

5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid (PubChem CID 106512241) has the molecular formula C10H5BrClN3O2 and a molecular weight of 314.53 g/mol. Its IUPAC name is 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
PubChem CID106512241
Molecular FormulaC10H5BrClN3O2
Molecular Weight314.53 g/mol
Exact Mass312.93
IUPAC Name5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ncccc2Cl)ncc1Br
InChIInChI=1S/C10H5BrClN3O2/c11-5-4-14-9(15-7(5)10(16)17)8-6(12)2-1-3-13-8/h1-4H,(H,16,17)
InChIKeyJYQLTZZFJTXCNB-UHFFFAOYSA-N
XLogP2.65
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82168679
5-bromo-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82168681
2-(3-chloro-2-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 103442921
5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512230
5-bromo-2-(3,4-dihydroxyphenyl)pyrimidine-4-carboxylic acid
CID 136889423
5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid
CID 106512146
3-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68947647
5-bromo-2-(3-hydroxy-3H-inden-1-yl)pyrimidine-4-carboxylic acid
CID 67985585
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
5-bromo-2-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
CID 106512106
2-(3-chloro-2-pyridinyl)-5-iodo-N-methylpyrimidin-4-amine
CID 103445166
4-(3-chloro-2-pyridinyl)-3-fluorobenzoic acid
CID 69201249

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid (CID 106512241) is 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ncccc2Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid?
The InChIKey is JYQLTZZFJTXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O2/c11-5-4-14-9(15-7(5)10(16)17)8-6(12)2-1-3-13-8/h1-4H,(H,16,17).
What are the key properties of 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid?
5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid has a molecular weight of 314.53 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 106512241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).