5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid

C15H15BrN2O3 — CID 106261575

IUPAC5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCOc1ccccc1CCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C15H15BrN2O3/c1-21-13-5-3-2-4-10(13)6-7-17-14-12(15(19)20)8-11(16)9-18-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyAKWPGCHPRVQGBV-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.21
Rot. Bonds6

About 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid

5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 106261575) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
PubChem CID106261575
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
SMILESCOc1ccccc1CCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C15H15BrN2O3/c1-21-13-5-3-2-4-10(13)6-7-17-14-12(15(19)20)8-11(16)9-18-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyAKWPGCHPRVQGBV-UHFFFAOYSA-N
XLogP3.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methoxyphenyl)acetamide
CID 81489105
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 55260858
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
CID 115148643
5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 63539534
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid (CID 106261575) is 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid is COc1ccccc1CCNc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is AKWPGCHPRVQGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-21-13-5-3-2-4-10(13)6-7-17-14-12(15(19)20)8-11(16)9-18-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid?
5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 351.20 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106261575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).