6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid

C15H15BrN2O2 — CID 106904588

IUPAC6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
SMILESCC(NCc1cccc(C(=O)O)n1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-5-7-12(16)8-6-11)17-9-13-3-2-4-14(18-13)15(19)20/h2-8,10,17H,9H2,1H3,(H,19,20)
InChIKeyIQTNWOXFLQYKCT-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.39
Rot. Bonds5

About 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid

6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904588) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
PubChem CID106904588
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid
SMILESCC(NCc1cccc(C(=O)O)n1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-5-7-12(16)8-6-11)17-9-13-3-2-4-14(18-13)15(19)20/h2-8,10,17H,9H2,1H3,(H,19,20)
InChIKeyIQTNWOXFLQYKCT-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904831
6-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904845
6-[(1-thiophen-2-ylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904477
6-[[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]methyl]pyridine-2-carboxylic acid
CID 106904908
6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
6-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106904538
6-[(2,4,6-tribromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904439
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81354918
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81353874
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(1-cyclohexylethylamino)methyl]pyridine-2-carboxylic acid
CID 106904668

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid (CID 106904588) is 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid is CC(NCc1cccc(C(=O)O)n1)c1ccc(Br)cc1.
What is the InChIKey of 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is IQTNWOXFLQYKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(11-5-7-12(16)8-6-11)17-9-13-3-2-4-14(18-13)15(19)20/h2-8,10,17H,9H2,1H3,(H,19,20).
What are the key properties of 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid?
6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-bromophenyl)ethylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).