6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid

C14H12BrNO2 — CID 112562057

IUPAC6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c1-8-7-12(14(17)18)9(2)16-13(8)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,17,18)
InChIKeyZZQNJGKJOKTFAK-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.83
Rot. Bonds2

About 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid

6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid (PubChem CID 112562057) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
PubChem CID112562057
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)nc1-c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c1-8-7-12(14(17)18)9(2)16-13(8)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,17,18)
InChIKeyZZQNJGKJOKTFAK-UHFFFAOYSA-N
XLogP3.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-bromophenyl)-5-(2,4-dichlorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69070859
2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82121831
5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897
2-(4-bromophenyl)-5-methylbenzene-1,3-dicarboxylic acid
CID 150599445
6-(4-chlorophenyl)-5-methyl-2-(methylamino)pyridine-3-carboxylic acid
CID 94285501
2-(dimethylamino)-5-methyl-6-phenylpyridine-3-carboxylic acid
CID 82120489
2-(4-bromo-2-methylphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 103083703
2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 116533689
6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533249
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
CID 2749573
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
CID 112692937
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid (CID 112562057) is 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(C)nc1-c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid?
The InChIKey is ZZQNJGKJOKTFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-8-7-12(14(17)18)9(2)16-13(8)10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,17,18).
What are the key properties of 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid?
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid has a molecular weight of 306.16 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 112562057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).