2-(3-phenylprop-2-ynoxymethyl)pyridine

C15H13NO — CID 10998645

IUPAC2-(3-phenylprop-2-ynoxymethyl)pyridine
SMILESC(#Cc1ccccc1)COCc1ccccn1
InChIInChI=1S/C15H13NO/c1-2-7-14(8-3-1)9-6-12-17-13-15-10-4-5-11-16-15/h1-5,7-8,10-11H,12-13H2
InChIKeyHKXGJFVHGUUQQI-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.65
Rot. Bonds3

About 2-(3-phenylprop-2-ynoxymethyl)pyridine

2-(3-phenylprop-2-ynoxymethyl)pyridine (PubChem CID 10998645) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-phenylprop-2-ynoxymethyl)pyridine.

Molecular Properties

Compound Name2-(3-phenylprop-2-ynoxymethyl)pyridine
PubChem CID10998645
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-(3-phenylprop-2-ynoxymethyl)pyridine
SMILESC(#Cc1ccccc1)COCc1ccccn1
InChIInChI=1S/C15H13NO/c1-2-7-14(8-3-1)9-6-12-17-13-15-10-4-5-11-16-15/h1-5,7-8,10-11H,12-13H2
InChIKeyHKXGJFVHGUUQQI-UHFFFAOYSA-N
XLogP2.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-phenylprop-2-ynoxymethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-N,N-bis(pyridin-2-ylmethyl)prop-2-yn-1-amine
CID 23911127
2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 142548631
3-(2,2,2-trifluoroethoxy)prop-1-ynylbenzene
CID 100928911
pyridin-2-ylmethyl hypoiodite
CID 67567753
2-(pyridin-4-yloxymethyl)pyridine
CID 58505689
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
4-(pyridin-2-ylmethoxymethyl)benzoic acid
CID 83213493
1-ethyl-2-(3-phenylprop-2-ynoxy)benzene
CID 64765483
2-(pyridin-1-ium-4-yloxymethyl)pyridine
CID 59293395
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
3-(3-phenylprop-2-ynoxy)pyridine-4-carboxylic acid
CID 81446561

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-ynoxymethyl)pyridine?
The IUPAC name of 2-(3-phenylprop-2-ynoxymethyl)pyridine (CID 10998645) is 2-(3-phenylprop-2-ynoxymethyl)pyridine.
What is the SMILES notation for 2-(3-phenylprop-2-ynoxymethyl)pyridine?
The canonical SMILES for 2-(3-phenylprop-2-ynoxymethyl)pyridine is C(#Cc1ccccc1)COCc1ccccn1.
What is the InChIKey of 2-(3-phenylprop-2-ynoxymethyl)pyridine?
The InChIKey is HKXGJFVHGUUQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-7-14(8-3-1)9-6-12-17-13-15-10-4-5-11-16-15/h1-5,7-8,10-11H,12-13H2.
What are the key properties of 2-(3-phenylprop-2-ynoxymethyl)pyridine?
2-(3-phenylprop-2-ynoxymethyl)pyridine has a molecular weight of 223.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-ynoxymethyl)pyridine is sourced from PubChem (CID 10998645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).