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

C12H17BrN2O2 — CID 63537700

IUPAC5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
SMILESCC(C)CCCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H17BrN2O2/c1-8(2)4-3-5-14-11-10(12(16)17)6-9(13)7-15-11/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyTWNJGMKOOMAYML-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.39
Rot. Bonds6

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

5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid (PubChem CID 63537700) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
PubChem CID63537700
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
SMILESCC(C)CCCNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H17BrN2O2/c1-8(2)4-3-5-14-11-10(12(16)17)6-9(13)7-15-11/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyTWNJGMKOOMAYML-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
5-bromo-N-(4-methylpentyl)-2-(propylamino)pyridine-3-carboxamide
CID 63499563
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
5-bromo-2-(14-methylpentadecyl)pyridine-3-carboxylic acid
CID 70373185
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 113406289
5-bromo-2-(2-prop-2-ynylsulfanylethylamino)pyridine-3-carboxylic acid
CID 106429424
5-bromo-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 55260858
5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 106261575

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid (CID 63537700) is 5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid is CC(C)CCCNc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid?
The InChIKey is TWNJGMKOOMAYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(2)4-3-5-14-11-10(12(16)17)6-9(13)7-15-11/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid?
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid has a molecular weight of 301.18 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63537700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).