4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile

C16H16N2O — CID 107664726

IUPAC4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
SMILESCCC(C)c1ccc(Oc2ccnc(C#N)c2)cc1
InChIInChI=1S/C16H16N2O/c1-3-12(2)13-4-6-15(7-5-13)19-16-8-9-18-14(10-16)11-17/h4-10,12H,3H2,1-2H3
InChIKeyQNNBVUXPTSRGQM-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.26
Rot. Bonds4

About 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile

4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile (PubChem CID 107664726) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
PubChem CID107664726
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
SMILESCCC(C)c1ccc(Oc2ccnc(C#N)c2)cc1
InChIInChI=1S/C16H16N2O/c1-3-12(2)13-4-6-15(7-5-13)19-16-8-9-18-14(10-16)11-17/h4-10,12H,3H2,1-2H3
InChIKeyQNNBVUXPTSRGQM-UHFFFAOYSA-N
XLogP4.26
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
CID 107663742
(1S)-1-[2-(4-butan-2-ylphenoxy)-4-pyridinyl]ethanol
CID 107665917
4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
CID 62937631
4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
CID 55156270
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile
CID 107664549
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
3-[4-[(2-cyano-4-pyridinyl)oxy]phenyl]propanoic acid
CID 58674563
4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
CID 71758116
4-(1-hydroxypropyl)pyridine-2-carbonitrile
CID 170592928
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile (CID 107664726) is 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile is CCC(C)c1ccc(Oc2ccnc(C#N)c2)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile?
The InChIKey is QNNBVUXPTSRGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-3-12(2)13-4-6-15(7-5-13)19-16-8-9-18-14(10-16)11-17/h4-10,12H,3H2,1-2H3.
What are the key properties of 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile?
4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 107664726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).