5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile

C14H8FN5 — CID 122479393

IUPAC5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(-c2cccnc2F)c1
InChIInChI=1S/C14H8FN5/c15-14-11(5-2-6-17-14)9-3-1-4-10(7-9)13-12(8-16)18-20-19-13/h1-7H,(H,18,19,20)
InChIKeyTYYXJVVZRFKZNS-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.54
Rot. Bonds2

About 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile

5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile (PubChem CID 122479393) has the molecular formula C14H8FN5 and a molecular weight of 265.25 g/mol. Its IUPAC name is 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile
PubChem CID122479393
Molecular FormulaC14H8FN5
Molecular Weight265.25 g/mol
Exact Mass265.08
IUPAC Name5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(-c2cccnc2F)c1
InChIInChI=1S/C14H8FN5/c15-14-11(5-2-6-17-14)9-3-1-4-10(7-9)13-12(8-16)18-20-19-13/h1-7H,(H,18,19,20)
InChIKeyTYYXJVVZRFKZNS-UHFFFAOYSA-N
XLogP2.54
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(3-pyrimidin-2-yloxyphenyl)-2H-triazole-4-carbonitrile
CID 122478168
5-[3-[(2,6-difluorophenyl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122477779
5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile
CID 122479332
5-[3-(7-fluoro-1-benzothiophen-2-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122477871
5-[3-(3-acetylphenyl)phenyl]-2H-triazole-4-carbonitrile
CID 122479305
5-[3-(6-methoxypyridazin-3-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122478071
5-[3-(1-benzofuran-5-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122479316
5-[3-[(E)-3-(4-fluorophenyl)prop-2-enoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479581
5-[4-amino-3-[3-(trifluoromethyl)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122447313
5-(9H-fluoren-2-yl)-2H-triazole-4-carbonitrile
CID 122479197
5-[3-(2,6-difluoro-3-pyridinyl)-5-(2-methylbutan-2-yl)phenyl]-2H-triazole-4-carbonitrile
CID 170147374
5-[3-(trifluoromethoxy)-5-[3-(trifluoromethoxy)phenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477181

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile (CID 122479393) is 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1cccc(-c2cccnc2F)c1.
What is the InChIKey of 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile?
The InChIKey is TYYXJVVZRFKZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN5/c15-14-11(5-2-6-17-14)9-3-1-4-10(7-9)13-12(8-16)18-20-19-13/h1-7H,(H,18,19,20).
What are the key properties of 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile?
5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile has a molecular weight of 265.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluoro-3-pyridinyl)phenyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122479393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).