2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid

C15H11FN4O2 — CID 134307913

IUPAC2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H11FN4O2/c16-12-3-1-11(2-4-12)15-14(10-5-7-17-8-6-10)18-19-20(15)9-13(21)22/h1-8H,9H2,(H,21,22)
InChIKeyUCONKRQEFHMPFY-UHFFFAOYSA-N
MW298.28 g/mol
LogP2.23
Rot. Bonds4

About 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid

2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid (PubChem CID 134307913) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid
PubChem CID134307913
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccncc2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H11FN4O2/c16-12-3-1-11(2-4-12)15-14(10-5-7-17-8-6-10)18-19-20(15)9-13(21)22/h1-8H,9H2,(H,21,22)
InChIKeyUCONKRQEFHMPFY-UHFFFAOYSA-N
XLogP2.23
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid (CID 134307913) is 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid is O=C(O)Cn1nnc(-c2ccncc2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid?
The InChIKey is UCONKRQEFHMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c16-12-3-1-11(2-4-12)15-14(10-5-7-17-8-6-10)18-19-20(15)9-13(21)22/h1-8H,9H2,(H,21,22).
What are the key properties of 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid?
2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid has a molecular weight of 298.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]acetic acid is sourced from PubChem (CID 134307913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).