5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile

C15H10FN5 — CID 169043396

IUPAC5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(F)cc3)cnc2C#N)nn1
InChIInChI=1S/C15H10FN5/c1-21-9-15(19-20-21)13-6-11(8-18-14(13)7-17)10-2-4-12(16)5-3-10/h2-6,8-9H,1H3
InChIKeyHTXNVDRCXGISHR-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.55
Rot. Bonds2

About 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile

5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile (PubChem CID 169043396) has the molecular formula C15H10FN5 and a molecular weight of 279.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile
PubChem CID169043396
Molecular FormulaC15H10FN5
Molecular Weight279.28 g/mol
Exact Mass279.09
IUPAC Name5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(F)cc3)cnc2C#N)nn1
InChIInChI=1S/C15H10FN5/c1-21-9-15(19-20-21)13-6-11(8-18-14(13)7-17)10-2-4-12(16)5-3-10/h2-6,8-9H,1H3
InChIKeyHTXNVDRCXGISHR-UHFFFAOYSA-N
XLogP2.55
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile (CID 169043396) is 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile is Cn1cc(-c2cc(-c3ccc(F)cc3)cnc2C#N)nn1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile?
The InChIKey is HTXNVDRCXGISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5/c1-21-9-15(19-20-21)13-6-11(8-18-14(13)7-17)10-2-4-12(16)5-3-10/h2-6,8-9H,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile?
5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile has a molecular weight of 279.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(1-methyltriazol-4-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 169043396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).