ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine

C11H15FN4 — CID 145450746

IUPACethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine
SMILESCC.CC(F)c1cccnc1-n1ccnn1
InChIInChI=1S/C9H9FN4.C2H6/c1-7(10)8-3-2-4-11-9(8)14-6-5-12-13-14;1-2/h2-7H,1H3;1-2H3
InChIKeyOWVMSQWAGHGIHY-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.72
Rot. Bonds2

About ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine

ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine (PubChem CID 145450746) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine.

Molecular Properties

Compound Nameethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine
PubChem CID145450746
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Nameethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine
SMILESCC.CC(F)c1cccnc1-n1ccnn1
InChIInChI=1S/C9H9FN4.C2H6/c1-7(10)8-3-2-4-11-9(8)14-6-5-12-13-14;1-2/h2-7H,1H3;1-2H3
InChIKeyOWVMSQWAGHGIHY-UHFFFAOYSA-N
XLogP2.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine?
The IUPAC name of ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine (CID 145450746) is ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine.
What is the SMILES notation for ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine?
The canonical SMILES for ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine is CC.CC(F)c1cccnc1-n1ccnn1.
What is the InChIKey of ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine?
The InChIKey is OWVMSQWAGHGIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4.C2H6/c1-7(10)8-3-2-4-11-9(8)14-6-5-12-13-14;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine?
ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine has a molecular weight of 222.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-fluoroethyl)-2-(triazol-1-yl)pyridine is sourced from PubChem (CID 145450746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).