2-[(1R)-1-bromoethyl]-3-methylpyridine

C8H10BrN — CID 124561597

IUPAC2-[(1R)-1-bromoethyl]-3-methylpyridine
SMILESCc1cccnc1[C@@H](C)Br
InChIInChI=1S/C8H10BrN/c1-6-4-3-5-10-8(6)7(2)9/h3-5,7H,1-2H3/t7-/m1/s1
InChIKeyOQCBNUBXPVRFNU-SSDOTTSWSA-N
MW200.08 g/mol
LogP2.85
Rot. Bonds1

About 2-[(1R)-1-bromoethyl]-3-methylpyridine

2-[(1R)-1-bromoethyl]-3-methylpyridine (PubChem CID 124561597) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 2-[(1R)-1-bromoethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[(1R)-1-bromoethyl]-3-methylpyridine
PubChem CID124561597
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name2-[(1R)-1-bromoethyl]-3-methylpyridine
SMILESCc1cccnc1[C@@H](C)Br
InChIInChI=1S/C8H10BrN/c1-6-4-3-5-10-8(6)7(2)9/h3-5,7H,1-2H3/t7-/m1/s1
InChIKeyOQCBNUBXPVRFNU-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

2-(1-bromoethyl)pyridin-3-ol
CID 174581885
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
CID 155163970
2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287
2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol
CID 105110557
(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
3-methyl-2-(4-methyl-1-phenylpentan-3-yl)pyridine
CID 170263130
2-methyl-1-(3-methyl-2-pyridinyl)pentan-1-ol
CID 107892875
ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
CID 167681934
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
2-amino-2-(3-methyl-2-pyridinyl)ethanethiol
CID 88739390

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-bromoethyl]-3-methylpyridine?
The IUPAC name of 2-[(1R)-1-bromoethyl]-3-methylpyridine (CID 124561597) is 2-[(1R)-1-bromoethyl]-3-methylpyridine.
What is the SMILES notation for 2-[(1R)-1-bromoethyl]-3-methylpyridine?
The canonical SMILES for 2-[(1R)-1-bromoethyl]-3-methylpyridine is Cc1cccnc1[C@@H](C)Br.
What is the InChIKey of 2-[(1R)-1-bromoethyl]-3-methylpyridine?
The InChIKey is OQCBNUBXPVRFNU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-4-3-5-10-8(6)7(2)9/h3-5,7H,1-2H3/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-bromoethyl]-3-methylpyridine?
2-[(1R)-1-bromoethyl]-3-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 2-[(1R)-1-bromoethyl]-3-methylpyridine is sourced from PubChem (CID 124561597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).