3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol

C15H14N2O2 — CID 69094333

IUPAC3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol
SMILESCOc1cc(C)nc(-c2cccc(C#CCO)n2)c1
InChIInChI=1S/C15H14N2O2/c1-11-9-13(19-2)10-15(16-11)14-7-3-5-12(17-14)6-4-8-18/h3,5,7,9-10,18H,8H2,1-2H3
InChIKeyYZKGVHDFNSTDEG-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.80
Rot. Bonds2

About 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol

3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol (PubChem CID 69094333) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol
PubChem CID69094333
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol
SMILESCOc1cc(C)nc(-c2cccc(C#CCO)n2)c1
InChIInChI=1S/C15H14N2O2/c1-11-9-13(19-2)10-15(16-11)14-7-3-5-12(17-14)6-4-8-18/h3,5,7,9-10,18H,8H2,1-2H3
InChIKeyYZKGVHDFNSTDEG-UHFFFAOYSA-N
XLogP1.80
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Caerulomycin A
CID 135514797
4,4'-Dimethoxy-2,2'-bipyridyl
CID 2733927
Caeurolomycin A
CID 159917
Caerulomycin
CID 135478684
Caerulomycinonitrile
CID 13586798
Caerulomycin F
CID 25192237
(E)-N-methoxy-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanimine
CID 16128661
2-Methyl-6-(3-phenoxyprop-1-yn-1-yl)pyridine
CID 44415867
2-(6-Methoxypyridin-2-yl)ethan-1-ol
CID 15319871
6,6'-Dimethoxy-2,2'-bipyridine
CID 6425417
3-(6-Methoxypyridin-2-yl)propan-1-ol
CID 579667
4,4'-dimethoxy-2,2'-bipyridine nickel (II) chloride
CID 24878702

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol (CID 69094333) is 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol is COc1cc(C)nc(-c2cccc(C#CCO)n2)c1.
What is the InChIKey of 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol?
The InChIKey is YZKGVHDFNSTDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-9-13(19-2)10-15(16-11)14-7-3-5-12(17-14)6-4-8-18/h3,5,7,9-10,18H,8H2,1-2H3.
What are the key properties of 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol?
3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol has a molecular weight of 254.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 69094333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).