2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid

C13H11BrN2O2 — CID 114244985

IUPAC2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid
SMILESCc1cnc(Cc2ccccc2Br)nc1C(=O)O
InChIInChI=1S/C13H11BrN2O2/c1-8-7-15-11(16-12(8)13(17)18)6-9-4-2-3-5-10(9)14/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyZPVZSBZHDFJESL-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.84
Rot. Bonds3

About 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid

2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid (PubChem CID 114244985) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid
PubChem CID114244985
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid
SMILESCc1cnc(Cc2ccccc2Br)nc1C(=O)O
InChIInChI=1S/C13H11BrN2O2/c1-8-7-15-11(16-12(8)13(17)18)6-9-4-2-3-5-10(9)14/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyZPVZSBZHDFJESL-UHFFFAOYSA-N
XLogP2.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromophenyl)methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422776
4-amino-2-[(2-methylphenyl)methyl]pyrimidine-5-carboxylic acid
CID 116640956
5-bromo-2-[(4-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168685
2-bromo-5-methylpyrimidine-4-carboxylic acid
CID 151168996
2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 82378595
2-[(2-fluorophenyl)methyl]-5-(2-methylpropanoyl)pyrimidine-4-carboxylic acid
CID 82170437
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
CID 66302872
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63344609
[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
CID 62830563
2-(2-aminoethyl)-5-bromopyrimidine-4-carboxylic acid
CID 83825215
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62828650
5-methyl-2-pyrimidin-2-ylpyrimidine-4-carboxylic acid
CID 139162305

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid (CID 114244985) is 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid is Cc1cnc(Cc2ccccc2Br)nc1C(=O)O.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid?
The InChIKey is ZPVZSBZHDFJESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-8-7-15-11(16-12(8)13(17)18)6-9-4-2-3-5-10(9)14/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid?
2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid has a molecular weight of 307.15 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 114244985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).