3-[(1R)-1-bromoethyl]-4-methylpyridine

C8H10BrN — CID 124706368

IUPAC3-[(1R)-1-bromoethyl]-4-methylpyridine
SMILESCc1ccncc1[C@@H](C)Br
InChIInChI=1S/C8H10BrN/c1-6-3-4-10-5-8(6)7(2)9/h3-5,7H,1-2H3/t7-/m1/s1
InChIKeyMNYWKPIRFJNJME-SSDOTTSWSA-N
MW200.08 g/mol
LogP2.85
Rot. Bonds1

About 3-[(1R)-1-bromoethyl]-4-methylpyridine

3-[(1R)-1-bromoethyl]-4-methylpyridine (PubChem CID 124706368) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 3-[(1R)-1-bromoethyl]-4-methylpyridine.

Molecular Properties

Compound Name3-[(1R)-1-bromoethyl]-4-methylpyridine
PubChem CID124706368
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name3-[(1R)-1-bromoethyl]-4-methylpyridine
SMILESCc1ccncc1[C@@H](C)Br
InChIInChI=1S/C8H10BrN/c1-6-3-4-10-5-8(6)7(2)9/h3-5,7H,1-2H3/t7-/m1/s1
InChIKeyMNYWKPIRFJNJME-SSDOTTSWSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(1-bromoethyl)pyridine
CID 119087167
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
3-(diethoxymethyl)-4-methylpyridine
CID 55269894
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
2-methyl-3-(4-methyl-3-pyridinyl)butanoic acid
CID 81008054
N-[1-(4-methyl-3-pyridinyl)ethyl]aniline
CID 115888646
N,3,4,4-tetramethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 105006583
3-bromo-4-methylpyridine;ethane
CID 143472846
ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
CID 167681934
(4-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 66273752
2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 116711939

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-bromoethyl]-4-methylpyridine?
The IUPAC name of 3-[(1R)-1-bromoethyl]-4-methylpyridine (CID 124706368) is 3-[(1R)-1-bromoethyl]-4-methylpyridine.
What is the SMILES notation for 3-[(1R)-1-bromoethyl]-4-methylpyridine?
The canonical SMILES for 3-[(1R)-1-bromoethyl]-4-methylpyridine is Cc1ccncc1[C@@H](C)Br.
What is the InChIKey of 3-[(1R)-1-bromoethyl]-4-methylpyridine?
The InChIKey is MNYWKPIRFJNJME-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-3-4-10-5-8(6)7(2)9/h3-5,7H,1-2H3/t7-/m1/s1.
What are the key properties of 3-[(1R)-1-bromoethyl]-4-methylpyridine?
3-[(1R)-1-bromoethyl]-4-methylpyridine has a molecular weight of 200.08 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-bromoethyl]-4-methylpyridine is sourced from PubChem (CID 124706368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).