(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol

C8H10BrNO — CID 155163970

IUPAC(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1[C@@H](O)CBr
InChIInChI=1S/C8H10BrNO/c1-6-3-2-4-10-8(6)7(11)5-9/h2-4,7,11H,5H2,1H3/t7-/m0/s1
InChIKeyXZZQJYWTTGBYAB-ZETCQYMHSA-N
MW216.08 g/mol
LogP1.82
Rot. Bonds2

About (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol

(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol (PubChem CID 155163970) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
PubChem CID155163970
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1[C@@H](O)CBr
InChIInChI=1S/C8H10BrNO/c1-6-3-2-4-10-8(6)7(11)5-9/h2-4,7,11H,5H2,1H3/t7-/m0/s1
InChIKeyXZZQJYWTTGBYAB-ZETCQYMHSA-N
XLogP1.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.82
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

CID 155748395
CID 155748395
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CID 79701389
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CID 55293811
2-methyl-1-(3-methyl-2-pyridinyl)pentan-1-ol
CID 107892875
1-(3-methyl-2-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771004
3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 103008060
(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
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CID 79820653

Frequently Asked Questions

What is the IUPAC name of (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol (CID 155163970) is (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol is Cc1cccnc1[C@@H](O)CBr.
What is the InChIKey of (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is XZZQJYWTTGBYAB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-6-3-2-4-10-8(6)7(11)5-9/h2-4,7,11H,5H2,1H3/t7-/m0/s1.
What are the key properties of (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol?
(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol has a molecular weight of 216.08 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 155163970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).