5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

C14H12FN5O — CID 71101231

IUPAC5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCOc1ccc(-n2nc(C)nc2-c2ccc(F)cn2)cn1
InChIInChI=1S/C14H12FN5O/c1-9-18-14(12-5-3-10(15)7-16-12)20(19-9)11-4-6-13(21-2)17-8-11/h3-8H,1-2H3
InChIKeyUGRZLTBNBFYOOD-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.18
Rot. Bonds3

About 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine

5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 71101231) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID71101231
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCOc1ccc(-n2nc(C)nc2-c2ccc(F)cn2)cn1
InChIInChI=1S/C14H12FN5O/c1-9-18-14(12-5-3-10(15)7-16-12)20(19-9)11-4-6-13(21-2)17-8-11/h3-8H,1-2H3
InChIKeyUGRZLTBNBFYOOD-UHFFFAOYSA-N
XLogP2.18
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine (CID 71101231) is 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is COc1ccc(-n2nc(C)nc2-c2ccc(F)cn2)cn1.
What is the InChIKey of 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is UGRZLTBNBFYOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-9-18-14(12-5-3-10(15)7-16-12)20(19-9)11-4-6-13(21-2)17-8-11/h3-8H,1-2H3.
What are the key properties of 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine?
5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 285.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 71101231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).