5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid

C14H10N4O3 — CID 115491172

IUPAC5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ncn(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H10N4O3/c19-13(20)12-7-6-11(8-15-12)21-14-16-9-18(17-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyDSUQKRKALIPIIG-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.15
Rot. Bonds4

About 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid

5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid (PubChem CID 115491172) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid
PubChem CID115491172
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ncn(-c3ccccc3)n2)cn1
InChIInChI=1S/C14H10N4O3/c19-13(20)12-7-6-11(8-15-12)21-14-16-9-18(17-14)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyDSUQKRKALIPIIG-UHFFFAOYSA-N
XLogP2.15
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid (CID 115491172) is 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid is O=C(O)c1ccc(Oc2ncn(-c3ccccc3)n2)cn1.
What is the InChIKey of 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid?
The InChIKey is DSUQKRKALIPIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-13(20)12-7-6-11(8-15-12)21-14-16-9-18(17-14)10-4-2-1-3-5-10/h1-9H,(H,19,20).
What are the key properties of 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid?
5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-phenyl-1,2,4-triazol-3-yl)oxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 115491172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).