6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile

C17H17FN2O — CID 154644653

IUPAC6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C17H17FN2O/c1-17(2,3)15-9-13(11-5-7-12(18)8-6-11)14(10-19)16(20-15)21-4/h5-9H,1-4H3
InChIKeyMGSHJKZMJFKNCE-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.07
Rot. Bonds2

About 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile

6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile (PubChem CID 154644653) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
PubChem CID154644653
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1C#N
InChIInChI=1S/C17H17FN2O/c1-17(2,3)15-9-13(11-5-7-12(18)8-6-11)14(10-19)16(20-15)21-4/h5-9H,1-4H3
InChIKeyMGSHJKZMJFKNCE-UHFFFAOYSA-N
XLogP4.07
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile (CID 154644653) is 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile is COc1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1C#N.
What is the InChIKey of 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is MGSHJKZMJFKNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-17(2,3)15-9-13(11-5-7-12(18)8-6-11)14(10-19)16(20-15)21-4/h5-9H,1-4H3.
What are the key properties of 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile?
6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile has a molecular weight of 284.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 154644653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).