1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one

C15H11NO2 — CID 67015597

IUPAC1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one
SMILESCOc1ccc(C(=O)C#Cc2ccccc2)cn1
InChIInChI=1S/C15H11NO2/c1-18-15-10-8-13(11-16-15)14(17)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,1H3
InChIKeyRDAVHHTZKCRUDG-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.32
Rot. Bonds2

About 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one

1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one (PubChem CID 67015597) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one
PubChem CID67015597
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one
SMILESCOc1ccc(C(=O)C#Cc2ccccc2)cn1
InChIInChI=1S/C15H11NO2/c1-18-15-10-8-13(11-16-15)14(17)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,1H3
InChIKeyRDAVHHTZKCRUDG-UHFFFAOYSA-N
XLogP2.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
6-methoxypyridine-3-carboxylate
CID 7060527
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
3-(4-methoxyphenyl)-1-phenyl(213C)prop-2-yn-1-one
CID 101128988
2-(6-methoxy-3-pyridinyl)-3-(2-phenylethynyl)benzoic acid
CID 118078238
1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one
CID 130594890
(2-ethylphenyl) 6-methoxypyridine-3-carboxylate
CID 78826820
6-methoxy-N-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 134031462
(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93310081
6-methoxy-N-pyridin-2-ylpyridine-3-carboxamide
CID 35035663
1-(2,3-dimethoxy-4-pyridinyl)-3-phenylprop-2-yn-1-one
CID 67067766
3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
CID 161119068

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one (CID 67015597) is 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one is COc1ccc(C(=O)C#Cc2ccccc2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one?
The InChIKey is RDAVHHTZKCRUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-18-15-10-8-13(11-16-15)14(17)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,1H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one?
1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one is sourced from PubChem (CID 67015597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).