5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine

C14H12FN5O — CID 69093934

IUPAC5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine
SMILESCn1nnc(-c2ccc(F)cn2)c1COc1ccccn1
InChIInChI=1S/C14H12FN5O/c1-20-12(9-21-13-4-2-3-7-16-13)14(18-19-20)11-6-5-10(15)8-17-11/h2-8H,9H2,1H3
InChIKeyJPNYFRZKFJHLAW-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.99
Rot. Bonds4

About 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine

5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine (PubChem CID 69093934) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine
PubChem CID69093934
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine
SMILESCn1nnc(-c2ccc(F)cn2)c1COc1ccccn1
InChIInChI=1S/C14H12FN5O/c1-20-12(9-21-13-4-2-3-7-16-13)14(18-19-20)11-6-5-10(15)8-17-11/h2-8H,9H2,1H3
InChIKeyJPNYFRZKFJHLAW-UHFFFAOYSA-N
XLogP1.99
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine?
The IUPAC name of 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine (CID 69093934) is 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine?
The canonical SMILES for 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine is Cn1nnc(-c2ccc(F)cn2)c1COc1ccccn1.
What is the InChIKey of 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine?
The InChIKey is JPNYFRZKFJHLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-20-12(9-21-13-4-2-3-7-16-13)14(18-19-20)11-6-5-10(15)8-17-11/h2-8H,9H2,1H3.
What are the key properties of 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine?
5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine has a molecular weight of 285.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-methyl-5-(pyridin-2-yloxymethyl)triazol-4-yl]pyridine is sourced from PubChem (CID 69093934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).