2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile

C15H8F2N4 — CID 86725487

IUPAC2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2nccc2-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H8F2N4/c16-12-2-1-11(8-13(12)17)14-4-6-20-21(14)15-7-10(9-18)3-5-19-15/h1-8H
InChIKeyCSGJIBXFKLWMIQ-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.08
Rot. Bonds2

About 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile

2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 86725487) has the molecular formula C15H8F2N4 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID86725487
Molecular FormulaC15H8F2N4
Molecular Weight282.25 g/mol
Exact Mass282.07
IUPAC Name2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2nccc2-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H8F2N4/c16-12-2-1-11(8-13(12)17)14-4-6-20-21(14)15-7-10(9-18)3-5-19-15/h1-8H
InChIKeyCSGJIBXFKLWMIQ-UHFFFAOYSA-N
XLogP3.08
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile (CID 86725487) is 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(-n2nccc2-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is CSGJIBXFKLWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4/c16-12-2-1-11(8-13(12)17)14-4-6-20-21(14)15-7-10(9-18)3-5-19-15/h1-8H.
What are the key properties of 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile?
2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 282.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 86725487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).