3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile

C17H18N2O — CID 62920098

IUPAC3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCC(C)(C)c1ccccc1OCc1cccnc1C#N
InChIInChI=1S/C17H18N2O/c1-17(2,3)14-8-4-5-9-16(14)20-12-13-7-6-10-19-15(13)11-18/h4-10H,12H2,1-3H3
InChIKeyPUHSZTAYVXPVMP-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.83
Rot. Bonds3

About 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile

3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 62920098) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID62920098
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCC(C)(C)c1ccccc1OCc1cccnc1C#N
InChIInChI=1S/C17H18N2O/c1-17(2,3)14-8-4-5-9-16(14)20-12-13-7-6-10-19-15(13)11-18/h4-10H,12H2,1-3H3
InChIKeyPUHSZTAYVXPVMP-UHFFFAOYSA-N
XLogP3.83
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893783
3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63364338
3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 62895682
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
4-[(2-tert-butylphenoxy)methyl]-3-chlorobenzonitrile
CID 102665767
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]pyridine-2-carbonitrile
CID 112587633
3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62894437
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894740
3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55205880

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile (CID 62920098) is 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile is CC(C)(C)c1ccccc1OCc1cccnc1C#N.
What is the InChIKey of 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is PUHSZTAYVXPVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(2,3)14-8-4-5-9-16(14)20-12-13-7-6-10-19-15(13)11-18/h4-10H,12H2,1-3H3.
What are the key properties of 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile?
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62920098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).