2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine

C10H10BrNO — CID 130604354

IUPAC2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine
SMILESC#CC(C)OCc1cccc(Br)n1
InChIInChI=1S/C10H10BrNO/c1-3-8(2)13-7-9-5-4-6-10(11)12-9/h1,4-6,8H,7H2,2H3
InChIKeyXHZPEQOQJRBEMU-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.38
Rot. Bonds3

About 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine

2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine (PubChem CID 130604354) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine
PubChem CID130604354
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine
SMILESC#CC(C)OCc1cccc(Br)n1
InChIInChI=1S/C10H10BrNO/c1-3-8(2)13-7-9-5-4-6-10(11)12-9/h1,4-6,8H,7H2,2H3
InChIKeyXHZPEQOQJRBEMU-UHFFFAOYSA-N
XLogP2.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-(methylsulfanyloxymethyl)pyridine
CID 89441575
5-bromo-2-(but-3-yn-2-yloxymethyl)pyrimidine
CID 169247668
2-bromo-6-(methylsulfanylmethyl)pyridine
CID 59526020
N-[(6-bromo-2-pyridinyl)methyl]-4-methylpentan-2-amine
CID 112581921
1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine
CID 126996740
N-[(6-bromo-2-pyridinyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 112582241
(6-bromo-2-pyridinyl)methyl 3-methylfuran-2-carboxylate
CID 100768882
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
CID 112581739
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 103936797
N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
CID 112581724
N-[2-(6-bromo-2-pyridinyl)ethyl]-2,6-di(propan-2-yl)aniline
CID 175069379

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine?
The IUPAC name of 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine (CID 130604354) is 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine.
What is the SMILES notation for 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine?
The canonical SMILES for 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine is C#CC(C)OCc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine?
The InChIKey is XHZPEQOQJRBEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-3-8(2)13-7-9-5-4-6-10(11)12-9/h1,4-6,8H,7H2,2H3.
What are the key properties of 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine?
2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine has a molecular weight of 240.10 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(but-3-yn-2-yloxymethyl)pyridine is sourced from PubChem (CID 130604354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).