2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine

C10H12BrNO2 — CID 154377158

IUPAC2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
SMILESBrc1cccc(CO[C@@H]2CCOC2)n1
InChIInChI=1S/C10H12BrNO2/c11-10-3-1-2-8(12-10)6-14-9-4-5-13-7-9/h1-3,9H,4-7H2/t9-/m1/s1
InChIKeyVXXHBHJRFHCDRL-SECBINFHSA-N
MW258.11 g/mol
LogP2.15
Rot. Bonds3

About 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine

2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine (PubChem CID 154377158) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
PubChem CID154377158
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine
SMILESBrc1cccc(CO[C@@H]2CCOC2)n1
InChIInChI=1S/C10H12BrNO2/c11-10-3-1-2-8(12-10)6-14-9-4-5-13-7-9/h1-3,9H,4-7H2/t9-/m1/s1
InChIKeyVXXHBHJRFHCDRL-SECBINFHSA-N
XLogP2.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(oxolan-3-yloxymethyl)pyridine-2-carbonitrile
CID 66718550
2-methyl-N-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106908333
N-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]acetamide
CID 154658060
2-chloro-6-(oxan-4-yloxymethyl)pyridine
CID 79243769
[6-(2-methylbutoxymethyl)-2-pyridinyl]methanamine;[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methanamine
CID 145133902
[4-[[(3S)-oxolan-3-yl]oxymethyl]pyrimidin-2-yl]methanamine
CID 142707797
tert-butyl N-[[6-[[(3S)-oxolan-3-yl]oxymethyl]-2-pyridinyl]methyl]carbamate
CID 140925195
oxolan-3-yl 6-bromopyridine-2-carboxylate
CID 103890143
6-(oxan-4-yloxymethyl)pyridine-2-carboxylic acid
CID 106903338
3-[[6-(oxolan-3-yloxymethyl)-2-pyridinyl]methyl]triazolo[4,5-d]pyrimidin-5-amine
CID 142707802
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547
[3-(oxolan-3-yloxymethyl)phenyl]boronic acid
CID 63556694

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine (CID 154377158) is 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine is Brc1cccc(CO[C@@H]2CCOC2)n1.
What is the InChIKey of 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine?
The InChIKey is VXXHBHJRFHCDRL-SECBINFHSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-10-3-1-2-8(12-10)6-14-9-4-5-13-7-9/h1-3,9H,4-7H2/t9-/m1/s1.
What are the key properties of 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine?
2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine has a molecular weight of 258.11 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(3R)-oxolan-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 154377158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).