2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide

C9H11BrN2O — CID 81401514

IUPAC2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CBr)c1ccccn1
InChIInChI=1S/C9H11BrN2O/c1-7(12-9(13)6-10)8-4-2-3-5-11-8/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyVEJZWQVFMZXPAN-ZETCQYMHSA-N
MW243.10 g/mol
LogP1.65
Rot. Bonds3

About 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide

2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide (PubChem CID 81401514) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
PubChem CID81401514
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CBr)c1ccccn1
InChIInChI=1S/C9H11BrN2O/c1-7(12-9(13)6-10)8-4-2-3-5-11-8/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyVEJZWQVFMZXPAN-ZETCQYMHSA-N
XLogP1.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
2-(2-hydroxyphenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 78990806
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842
2-(4-methylphenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337547
2-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]sulfanylacetic acid
CID 104570205
2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide (CID 81401514) is 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide is C[C@H](NC(=O)CBr)c1ccccn1.
What is the InChIKey of 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is VEJZWQVFMZXPAN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-7(12-9(13)6-10)8-4-2-3-5-11-8/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 243.10 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 81401514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).