2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile

C16H15ClN2O — CID 107664549

IUPAC2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile
SMILESCCC(C)c1ccc(Oc2cc(C#N)cc(Cl)n2)cc1
InChIInChI=1S/C16H15ClN2O/c1-3-11(2)13-4-6-14(7-5-13)20-16-9-12(10-18)8-15(17)19-16/h4-9,11H,3H2,1-2H3
InChIKeyDSMZNLDGZANLAU-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.91
Rot. Bonds4

About 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile

2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile (PubChem CID 107664549) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile
PubChem CID107664549
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile
SMILESCCC(C)c1ccc(Oc2cc(C#N)cc(Cl)n2)cc1
InChIInChI=1S/C16H15ClN2O/c1-3-11(2)13-4-6-14(7-5-13)20-16-9-12(10-18)8-15(17)19-16/h4-9,11H,3H2,1-2H3
InChIKeyDSMZNLDGZANLAU-UHFFFAOYSA-N
XLogP4.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile
CID 83074306
2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
CID 83073226
2-(4-butan-2-ylphenoxy)-4-(chloromethyl)-6-methylpyridine
CID 107667585
2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile
CID 166799798
4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
CID 107664726
tert-butyl 4-[4-[(6-chloro-4-cyano-2-pyridinyl)oxy]phenyl]butanoate
CID 160818081
2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile
CID 159564472
2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
CID 114766790
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 83072753
3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
CID 107663742
2-chloro-6-heptoxypyridine-4-carbonitrile
CID 83073210
6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine
CID 107663681

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile (CID 107664549) is 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile is CCC(C)c1ccc(Oc2cc(C#N)cc(Cl)n2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile?
The InChIKey is DSMZNLDGZANLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-3-11(2)13-4-6-14(7-5-13)20-16-9-12(10-18)8-15(17)19-16/h4-9,11H,3H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile?
2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile has a molecular weight of 286.76 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107664549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).