2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine

C14H11FN4O2 — CID 1475636

IUPAC2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCOc1ccnc(Oc2ccc(F)cc2)c1-c1ncn[nH]1
InChIInChI=1S/C14H11FN4O2/c1-20-11-6-7-16-14(12(11)13-17-8-18-19-13)21-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18,19)
InChIKeyLGAMCCQWXVWQDJ-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.81
Rot. Bonds4

About 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine

2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine (PubChem CID 1475636) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine
PubChem CID1475636
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine
SMILESCOc1ccnc(Oc2ccc(F)cc2)c1-c1ncn[nH]1
InChIInChI=1S/C14H11FN4O2/c1-20-11-6-7-16-14(12(11)13-17-8-18-19-13)21-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18,19)
InChIKeyLGAMCCQWXVWQDJ-UHFFFAOYSA-N
XLogP2.81
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine?
The IUPAC name of 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine (CID 1475636) is 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine.
What is the SMILES notation for 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine?
The canonical SMILES for 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine is COc1ccnc(Oc2ccc(F)cc2)c1-c1ncn[nH]1.
What is the InChIKey of 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine?
The InChIKey is LGAMCCQWXVWQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-20-11-6-7-16-14(12(11)13-17-8-18-19-13)21-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine?
2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine has a molecular weight of 286.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-4-methoxy-3-(1H-1,2,4-triazol-5-yl)pyridine is sourced from PubChem (CID 1475636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).