5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile

C14H7F2N5 — CID 122478783

IUPAC5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H7F2N5/c15-9-5-4-8(6-10(9)16)11-2-1-3-12(18-11)14-13(7-17)19-21-20-14/h1-6H,(H,19,20,21)
InChIKeyCDLYPBDPKUVIAI-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.68
Rot. Bonds2

About 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile

5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile (PubChem CID 122478783) has the molecular formula C14H7F2N5 and a molecular weight of 283.24 g/mol. Its IUPAC name is 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile
PubChem CID122478783
Molecular FormulaC14H7F2N5
Molecular Weight283.24 g/mol
Exact Mass283.07
IUPAC Name5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H7F2N5/c15-9-5-4-8(6-10(9)16)11-2-1-3-12(18-11)14-13(7-17)19-21-20-14/h1-6H,(H,19,20,21)
InChIKeyCDLYPBDPKUVIAI-UHFFFAOYSA-N
XLogP2.68
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile (CID 122478783) is 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1cccc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile?
The InChIKey is CDLYPBDPKUVIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N5/c15-9-5-4-8(6-10(9)16)11-2-1-3-12(18-11)14-13(7-17)19-21-20-14/h1-6H,(H,19,20,21).
What are the key properties of 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile?
5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile has a molecular weight of 283.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,4-difluorophenyl)-2-pyridinyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122478783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).