[(2S)-2-bromo-1H-pyridin-2-yl]methanol

C6H8BrNO — CID 97304757

IUPAC[(2S)-2-bromo-1H-pyridin-2-yl]methanol
SMILESOC[C@@]1(Br)C=CC=CN1
InChIInChI=1S/C6H8BrNO/c7-6(5-9)3-1-2-4-8-6/h1-4,8-9H,5H2/t6-/m1/s1
InChIKeyHDEHJOVMQVSWPB-ZCFIWIBFSA-N
MW190.04 g/mol
LogP0.74
Rot. Bonds1

About [(2S)-2-bromo-1H-pyridin-2-yl]methanol

[(2S)-2-bromo-1H-pyridin-2-yl]methanol (PubChem CID 97304757) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is [(2S)-2-bromo-1H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-bromo-1H-pyridin-2-yl]methanol
PubChem CID97304757
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name[(2S)-2-bromo-1H-pyridin-2-yl]methanol
SMILESOC[C@@]1(Br)C=CC=CN1
InChIInChI=1S/C6H8BrNO/c7-6(5-9)3-1-2-4-8-6/h1-4,8-9H,5H2/t6-/m1/s1
InChIKeyHDEHJOVMQVSWPB-ZCFIWIBFSA-N
XLogP0.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-bromo-1H-pyridin-2-yl]methanol?
The IUPAC name of [(2S)-2-bromo-1H-pyridin-2-yl]methanol (CID 97304757) is [(2S)-2-bromo-1H-pyridin-2-yl]methanol.
What is the SMILES notation for [(2S)-2-bromo-1H-pyridin-2-yl]methanol?
The canonical SMILES for [(2S)-2-bromo-1H-pyridin-2-yl]methanol is OC[C@@]1(Br)C=CC=CN1.
What is the InChIKey of [(2S)-2-bromo-1H-pyridin-2-yl]methanol?
The InChIKey is HDEHJOVMQVSWPB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H8BrNO/c7-6(5-9)3-1-2-4-8-6/h1-4,8-9H,5H2/t6-/m1/s1.
What are the key properties of [(2S)-2-bromo-1H-pyridin-2-yl]methanol?
[(2S)-2-bromo-1H-pyridin-2-yl]methanol has a molecular weight of 190.04 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-bromo-1H-pyridin-2-yl]methanol is sourced from PubChem (CID 97304757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).