5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine

C10H10BrNO — CID 106795090

IUPAC5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine
SMILESC#CC(C)Oc1ncc(Br)cc1C
InChIInChI=1S/C10H10BrNO/c1-4-8(3)13-10-7(2)5-9(11)6-12-10/h1,5-6,8H,2-3H3
InChIKeyUCYNOYWQSRIAMT-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.55
Rot. Bonds2

About 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine

5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine (PubChem CID 106795090) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine
PubChem CID106795090
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine
SMILESC#CC(C)Oc1ncc(Br)cc1C
InChIInChI=1S/C10H10BrNO/c1-4-8(3)13-10-7(2)5-9(11)6-12-10/h1,5-6,8H,2-3H3
InChIKeyUCYNOYWQSRIAMT-UHFFFAOYSA-N
XLogP2.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-yn-2-yloxy-4-methylpyridin-3-amine
CID 130497727
5-bromo-2-(4-bromophenoxy)-3-methylpyridine
CID 79713445
5-bromo-2-[[(2R)-but-3-yn-2-yl]oxymethyl]pyrimidine
CID 169247761
5-bromo-2-(but-3-yn-2-yloxymethyl)pyrimidine
CID 169247668
5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine
CID 102607188
(5-bromo-3-methyl-2-pyridinyl) propanoate
CID 150932448
5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine
CID 138985890
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181
5-methyl-6-propan-2-yloxypyridin-3-amine
CID 62475577
5-fluoro-3-methyl-2-propan-2-yloxypyridine
CID 130057948
6-but-3-yn-2-yloxy-5-nitropyridine-3-carboxylic acid
CID 106794598
[(4S)-5-[(5-bromo-3-methyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-yl]carbamic acid
CID 135283054

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine?
The IUPAC name of 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine (CID 106795090) is 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine.
What is the SMILES notation for 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine?
The canonical SMILES for 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine is C#CC(C)Oc1ncc(Br)cc1C.
What is the InChIKey of 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine?
The InChIKey is UCYNOYWQSRIAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-4-8(3)13-10-7(2)5-9(11)6-12-10/h1,5-6,8H,2-3H3.
What are the key properties of 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine?
5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine has a molecular weight of 240.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-but-3-yn-2-yloxy-3-methylpyridine is sourced from PubChem (CID 106795090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).