(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide

C8H10BrN3O — CID 103813937

IUPAC(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C8H10BrN3O/c1-5(10)8(13)12-6-2-3-7(9)11-4-6/h2-5H,10H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyXMLRHXOIASAQJJ-RXMQYKEDSA-N
MW244.09 g/mol
LogP1.13
Rot. Bonds2

About (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide

(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide (PubChem CID 103813937) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
PubChem CID103813937
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(Br)nc1
InChIInChI=1S/C8H10BrN3O/c1-5(10)8(13)12-6-2-3-7(9)11-4-6/h2-5H,10H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyXMLRHXOIASAQJJ-RXMQYKEDSA-N
XLogP1.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide
CID 164646765
(2R)-2-amino-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 78972498
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
[(2S)-2-methylbutyl] N-(6-bromo-3-pyridinyl)carbamate
CID 155739115
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
2-amino-N-[5-(ethylamino)-2-pyridinyl]propanamide
CID 82034104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide (CID 103813937) is (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide is C[C@@H](N)C(=O)Nc1ccc(Br)nc1.
What is the InChIKey of (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide?
The InChIKey is XMLRHXOIASAQJJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-5(10)8(13)12-6-2-3-7(9)11-4-6/h2-5H,10H2,1H3,(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide?
(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide has a molecular weight of 244.09 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide is sourced from PubChem (CID 103813937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).