6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid

C17H13FN4O2 — CID 67498028

IUPAC6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid
SMILESCn1nnc(-c2ccc(F)cc2)c1C=Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C17H13FN4O2/c1-22-15(9-8-14-7-4-12(10-19-14)17(23)24)16(20-21-22)11-2-5-13(18)6-3-11/h2-10H,1H3,(H,23,24)
InChIKeyDXQLVXPNJLAUAC-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.88
Rot. Bonds4

About 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid

6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid (PubChem CID 67498028) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid
PubChem CID67498028
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid
SMILESCn1nnc(-c2ccc(F)cc2)c1C=Cc1ccc(C(=O)O)cn1
InChIInChI=1S/C17H13FN4O2/c1-22-15(9-8-14-7-4-12(10-19-14)17(23)24)16(20-21-22)11-2-5-13(18)6-3-11/h2-10H,1H3,(H,23,24)
InChIKeyDXQLVXPNJLAUAC-UHFFFAOYSA-N
XLogP2.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid (CID 67498028) is 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid is Cn1nnc(-c2ccc(F)cc2)c1C=Cc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid?
The InChIKey is DXQLVXPNJLAUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-22-15(9-8-14-7-4-12(10-19-14)17(23)24)16(20-21-22)11-2-5-13(18)6-3-11/h2-10H,1H3,(H,23,24).
What are the key properties of 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid?
6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid has a molecular weight of 324.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]ethenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67498028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).