5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid

C15H15BrN2O2 — CID 63539534

IUPAC5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid
SMILESCCC(Nc1ncc(Br)cc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-2-13(10-6-4-3-5-7-10)18-14-12(15(19)20)8-11(16)9-17-14/h3-9,13H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyKAXIYDCCJJHXIR-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.11
Rot. Bonds5

About 5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid

5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid (PubChem CID 63539534) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid
PubChem CID63539534
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid
SMILESCCC(Nc1ncc(Br)cc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-2-13(10-6-4-3-5-7-10)18-14-12(15(19)20)8-11(16)9-17-14/h3-9,13H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyKAXIYDCCJJHXIR-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722
5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 62305236
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545
3-bromo-5-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 79534888
5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid
CID 62000750
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
N-(5-bromo-3-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 79718048
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 112675813
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-(1-phenylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid (CID 63539534) is 5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid is CCC(Nc1ncc(Br)cc1C(=O)O)c1ccccc1.
What is the InChIKey of 5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is KAXIYDCCJJHXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-13(10-6-4-3-5-7-10)18-14-12(15(19)20)8-11(16)9-17-14/h3-9,13H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid?
5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63539534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).