6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile

C16H15FN2 — CID 165488418

IUPAC6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile
SMILESCC(C)(C)c1cccc(-c2ccc(C#N)c(F)n2)c1
InChIInChI=1S/C16H15FN2/c1-16(2,3)13-6-4-5-11(9-13)14-8-7-12(10-18)15(17)19-14/h4-9H,1-3H3
InChIKeyIJJPZXQLGONQNI-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.06
Rot. Bonds1

About 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile

6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile (PubChem CID 165488418) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile
PubChem CID165488418
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile
SMILESCC(C)(C)c1cccc(-c2ccc(C#N)c(F)n2)c1
InChIInChI=1S/C16H15FN2/c1-16(2,3)13-6-4-5-11(9-13)14-8-7-12(10-18)15(17)19-14/h4-9H,1-3H3
InChIKeyIJJPZXQLGONQNI-UHFFFAOYSA-N
XLogP4.06
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Sib 1893
CID 5311432
2,6-Diphenylpyridine
CID 72920
3-[(6-Methylpyridin-2-yl)ethynyl]benzonitrile
CID 11378977
3-Fluoro-5-(2-methylquinolin-7-yl)benzonitrile
CID 23661671
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
ML318
CID 56604881
2-Methyl-6-(4-phenylbut-1-ynyl)pyridine
CID 11424570
2-Methyl-6-(4-phenylpent-1-ynyl)pyridine
CID 11736483
3-(2-(6-Methylpyridin-2-yl)ethynyl)-5-fluorobenzonitrile
CID 46208250
3-(2-(6-Methylpyridin-2-yl)ethynyl)-5-iodobenzonitrile
CID 54582380
2-Methylquinoline-4-carbonitrile
CID 657495
trans-2-(m-Cyanostyryl)pyridine
CID 18763276

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile?
The IUPAC name of 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile (CID 165488418) is 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile?
The canonical SMILES for 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile is CC(C)(C)c1cccc(-c2ccc(C#N)c(F)n2)c1.
What is the InChIKey of 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile?
The InChIKey is IJJPZXQLGONQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-16(2,3)13-6-4-5-11(9-13)14-8-7-12(10-18)15(17)19-14/h4-9H,1-3H3.
What are the key properties of 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile?
6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile has a molecular weight of 254.31 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butylphenyl)-2-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 165488418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).