2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine

C14H18BrNO4 — CID 163377534

IUPAC2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine
SMILESCO[C@]1(c2cc(OCC3COC3)cc(Br)n2)CCOC1
InChIInChI=1S/C14H18BrNO4/c1-17-14(2-3-18-9-14)12-4-11(5-13(15)16-12)20-8-10-6-19-7-10/h4-5,10H,2-3,6-9H2,1H3/t14-/m1/s1
InChIKeyRLHAKBUEIWXRES-CQSZACIVSA-N
MW344.21 g/mol
LogP2.13
Rot. Bonds5

About 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine

2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine (PubChem CID 163377534) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine
PubChem CID163377534
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine
SMILESCO[C@]1(c2cc(OCC3COC3)cc(Br)n2)CCOC1
InChIInChI=1S/C14H18BrNO4/c1-17-14(2-3-18-9-14)12-4-11(5-13(15)16-12)20-8-10-6-19-7-10/h4-5,10H,2-3,6-9H2,1H3/t14-/m1/s1
InChIKeyRLHAKBUEIWXRES-CQSZACIVSA-N
XLogP2.13
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine?
The IUPAC name of 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine (CID 163377534) is 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine.
What is the SMILES notation for 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine?
The canonical SMILES for 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine is CO[C@]1(c2cc(OCC3COC3)cc(Br)n2)CCOC1.
What is the InChIKey of 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine?
The InChIKey is RLHAKBUEIWXRES-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-17-14(2-3-18-9-14)12-4-11(5-13(15)16-12)20-8-10-6-19-7-10/h4-5,10H,2-3,6-9H2,1H3/t14-/m1/s1.
What are the key properties of 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine?
2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine has a molecular weight of 344.21 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3S)-3-methoxyoxolan-3-yl]-4-(oxetan-3-ylmethoxy)pyridine is sourced from PubChem (CID 163377534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).