6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid

C14H13BrN2O2 — CID 84604433

IUPAC6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncc(C(=O)O)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-5-3-2-4-6-10)13-12(15)7-11(8-16-13)14(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLCQLJPZLSBWFPH-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.18
Rot. Bonds4

About 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid

6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid (PubChem CID 84604433) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid
PubChem CID84604433
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid
SMILESCN(Cc1ccccc1)c1ncc(C(=O)O)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-17(9-10-5-3-2-4-6-10)13-12(15)7-11(8-16-13)14(18)19/h2-8H,9H2,1H3,(H,18,19)
InChIKeyLCQLJPZLSBWFPH-UHFFFAOYSA-N
XLogP3.18
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84610251
5-amino-6-[(4-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440229
5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
CID 82482899
5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81447512
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
6-[benzyl(methyl)amino]-2-methylpyrimidine-4-carboxylic acid
CID 82299929
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
CID 105366500
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611
6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 61420530

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid?
The IUPAC name of 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid (CID 84604433) is 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid.
What is the SMILES notation for 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid?
The canonical SMILES for 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid is CN(Cc1ccccc1)c1ncc(C(=O)O)cc1Br.
What is the InChIKey of 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid?
The InChIKey is LCQLJPZLSBWFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17(9-10-5-3-2-4-6-10)13-12(15)7-11(8-16-13)14(18)19/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid?
6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid has a molecular weight of 321.17 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid is sourced from PubChem (CID 84604433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).