5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid

C10H5BrFN3O2 — CID 106512230

IUPAC5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cn2)ncc1Br
InChIInChI=1S/C10H5BrFN3O2/c11-6-4-14-9(15-8(6)10(16)17)7-2-1-5(12)3-13-7/h1-4H,(H,16,17)
InChIKeyXFUPNZWEDGUBEZ-UHFFFAOYSA-N
MW298.07 g/mol
LogP2.14
Rot. Bonds2

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

5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid (PubChem CID 106512230) has the molecular formula C10H5BrFN3O2 and a molecular weight of 298.07 g/mol. Its IUPAC name is 5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid
PubChem CID106512230
Molecular FormulaC10H5BrFN3O2
Molecular Weight298.07 g/mol
Exact Mass296.95
IUPAC Name5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(F)cn2)ncc1Br
InChIInChI=1S/C10H5BrFN3O2/c11-6-4-14-9(15-8(6)10(16)17)7-2-1-5(12)3-13-7/h1-4H,(H,16,17)
InChIKeyXFUPNZWEDGUBEZ-UHFFFAOYSA-N
XLogP2.14
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.07
LogP ≤ 52.14
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-(4-fluoro-2-methylphenyl)pyrimidine-4-carboxylic acid
CID 106512106
5-bromo-2-(1,3-thiazol-4-yl)pyrimidine-4-carboxylic acid
CID 106512146
5-bromo-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82168681
ethyl 2-(5-fluoro-2-pyridinyl)-5-methylpyrimidine-4-carboxylate
CID 114244924
5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
CID 79717868
5-bromo-2-(3,4-dihydroxyphenyl)pyrimidine-4-carboxylic acid
CID 136889423
5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512241
2-(5-fluoro-2-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 79717873
5-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83120187
7-bromo-2-(5-fluoro-2-pyridinyl)quinoline-4-carboxylic acid
CID 83118689
2-(5-fluoro-2-pyridinyl)pyrimidine-5-carbaldehyde
CID 79717980

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid (CID 106512230) is 5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccc(F)cn2)ncc1Br.
What is the InChIKey of 5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid?
The InChIKey is XFUPNZWEDGUBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFN3O2/c11-6-4-14-9(15-8(6)10(16)17)7-2-1-5(12)3-13-7/h1-4H,(H,16,17).
What are the key properties of 5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid?
5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid has a molecular weight of 298.07 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-fluoro-2-pyridinyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 106512230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).