2-bromo-5-methylpyrimidine-4-carboxylic acid

C6H5BrN2O2 — CID 151168996

IUPAC2-bromo-5-methylpyrimidine-4-carboxylic acid
SMILESCc1cnc(Br)nc1C(=O)O
InChIInChI=1S/C6H5BrN2O2/c1-3-2-8-6(7)9-4(3)5(10)11/h2H,1H3,(H,10,11)
InChIKeyNBWJHYOTEOUKBB-UHFFFAOYSA-N
MW217.02 g/mol
LogP1.25
Rot. Bonds1

About 2-bromo-5-methylpyrimidine-4-carboxylic acid

2-bromo-5-methylpyrimidine-4-carboxylic acid (PubChem CID 151168996) has the molecular formula C6H5BrN2O2 and a molecular weight of 217.02 g/mol. Its IUPAC name is 2-bromo-5-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-methylpyrimidine-4-carboxylic acid
PubChem CID151168996
Molecular FormulaC6H5BrN2O2
Molecular Weight217.02 g/mol
Exact Mass215.95
IUPAC Name2-bromo-5-methylpyrimidine-4-carboxylic acid
SMILESCc1cnc(Br)nc1C(=O)O
InChIInChI=1S/C6H5BrN2O2/c1-3-2-8-6(7)9-4(3)5(10)11/h2H,1H3,(H,10,11)
InChIKeyNBWJHYOTEOUKBB-UHFFFAOYSA-N
XLogP1.25
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-pyrimidin-2-ylpyrimidine-4-carboxylic acid
CID 139162305
5-methyl-2-(thietan-3-yl)pyrimidine-4-carboxylic acid
CID 165448544
4,5-dimethylpyridine-2,3-dicarboxylic acid
CID 53487983
2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid
CID 114244985
2-(3-bromo-4-fluorophenyl)-5-methylpyrimidine-4-carboxylic acid
CID 114245006
5-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine-4-carboxylic acid
CID 130494013
3,6-dibromo-4-methylpyridine-2-carboxylic acid
CID 104546717
3,6-dimethylpyridine-2-carboxylic acid
CID 13209567
2-bromo-5-methyl-1,3-oxazole-4-carboxylic acid
CID 58881989
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788
3-amino-6-bromo-5-methylpyridine-2-carboxylic acid
CID 105488793

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-bromo-5-methylpyrimidine-4-carboxylic acid (CID 151168996) is 2-bromo-5-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-methylpyrimidine-4-carboxylic acid is Cc1cnc(Br)nc1C(=O)O.
What is the InChIKey of 2-bromo-5-methylpyrimidine-4-carboxylic acid?
The InChIKey is NBWJHYOTEOUKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O2/c1-3-2-8-6(7)9-4(3)5(10)11/h2H,1H3,(H,10,11).
What are the key properties of 2-bromo-5-methylpyrimidine-4-carboxylic acid?
2-bromo-5-methylpyrimidine-4-carboxylic acid has a molecular weight of 217.02 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 151168996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).