ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine

C14H19NO — CID 164927006

IUPACethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine
SMILESCC.Cc1ccnc(C#CC2CCCO2)c1
InChIInChI=1S/C12H13NO.C2H6/c1-10-6-7-13-11(9-10)4-5-12-3-2-8-14-12;1-2/h6-7,9,12H,2-3,8H2,1H3;1-2H3
InChIKeyYHDRMXXRPGSHLN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.95
Rot. Bonds

About ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine

ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine (PubChem CID 164927006) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine.

Molecular Properties

Compound Nameethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine
PubChem CID164927006
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Nameethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine
SMILESCC.Cc1ccnc(C#CC2CCCO2)c1
InChIInChI=1S/C12H13NO.C2H6/c1-10-6-7-13-11(9-10)4-5-12-3-2-8-14-12;1-2/h6-7,9,12H,2-3,8H2,1H3;1-2H3
InChIKeyYHDRMXXRPGSHLN-UHFFFAOYSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine?
The IUPAC name of ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine (CID 164927006) is ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine.
What is the SMILES notation for ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine?
The canonical SMILES for ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine is CC.Cc1ccnc(C#CC2CCCO2)c1.
What is the InChIKey of ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine?
The InChIKey is YHDRMXXRPGSHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C2H6/c1-10-6-7-13-11(9-10)4-5-12-3-2-8-14-12;1-2/h6-7,9,12H,2-3,8H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine?
ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine has a molecular weight of 217.31 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-[2-(oxolan-2-yl)ethynyl]pyridine is sourced from PubChem (CID 164927006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).