5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid

C11H15BrN2O3 — CID 62001365

IUPAC5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
SMILESCOCCCCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C11H15BrN2O3/c1-17-5-3-2-4-13-10-9(11(15)16)6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyDJCLQTOBBJTZBS-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.38
Rot. Bonds7

About 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid

5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid (PubChem CID 62001365) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
PubChem CID62001365
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
SMILESCOCCCCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C11H15BrN2O3/c1-17-5-3-2-4-13-10-9(11(15)16)6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyDJCLQTOBBJTZBS-UHFFFAOYSA-N
XLogP2.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
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CID 63537491
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-2-(4-methoxybutylamino)benzoic acid
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5-amino-2-[3-(2-methoxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 114098601
5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 106261575
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793
5-bromo-2-(2-but-3-enoxyethylamino)pyridine-3-carboxylic acid
CID 106401074
5-bromo-2-hydrazinyl-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 62242203
5-bromo-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62186287
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid (CID 62001365) is 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid is COCCCCNc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid?
The InChIKey is DJCLQTOBBJTZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-17-5-3-2-4-13-10-9(11(15)16)6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid?
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid has a molecular weight of 303.16 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 62001365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).