2-(3-methoxyphenyl)-6-prop-1-ynylpyridine

C15H13NO — CID 66878671

IUPAC2-(3-methoxyphenyl)-6-prop-1-ynylpyridine
SMILESCC#Cc1cccc(-c2cccc(OC)c2)n1
InChIInChI=1S/C15H13NO/c1-3-6-13-8-5-10-15(16-13)12-7-4-9-14(11-12)17-2/h4-5,7-11H,1-2H3
InChIKeyWAJIIJLJMAGUQZ-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.13
Rot. Bonds2

About 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine

2-(3-methoxyphenyl)-6-prop-1-ynylpyridine (PubChem CID 66878671) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-prop-1-ynylpyridine
PubChem CID66878671
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name2-(3-methoxyphenyl)-6-prop-1-ynylpyridine
SMILESCC#Cc1cccc(-c2cccc(OC)c2)n1
InChIInChI=1S/C15H13NO/c1-3-6-13-8-5-10-15(16-13)12-7-4-9-14(11-12)17-2/h4-5,7-11H,1-2H3
InChIKeyWAJIIJLJMAGUQZ-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.13
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

4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-(dimethylamino)-6-(3-methoxyphenyl)pyrimidine-4-carbonitrile
CID 39356939
2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine
CID 171920267
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2-isothiocyanato-4-(3-methoxyphenyl)pyrimidine
CID 87188008
2-[6-(3-methoxyphenyl)-2-pyridinyl]quinazoline
CID 67688255
6-(3-methoxyphenyl)pyridine-2-carboximidamide;hydrochloride
CID 53485064
6-bromo-2-(3-methoxyphenyl)quinoline
CID 53443478

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine?
The IUPAC name of 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine (CID 66878671) is 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine is CC#Cc1cccc(-c2cccc(OC)c2)n1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine?
The InChIKey is WAJIIJLJMAGUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-3-6-13-8-5-10-15(16-13)12-7-4-9-14(11-12)17-2/h4-5,7-11H,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine?
2-(3-methoxyphenyl)-6-prop-1-ynylpyridine has a molecular weight of 223.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-prop-1-ynylpyridine is sourced from PubChem (CID 66878671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).