2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine

C16H18ClNO2 — CID 89433011

IUPAC2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine
SMILESCCC(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-4-12(3)19-13-5-7-14(8-6-13)20-16-15(17)9-11(2)10-18-16/h5-10,12H,4H2,1-3H3
InChIKeyMQNNOJXGASJIOB-UHFFFAOYSA-N
MW291.78 g/mol
LogP5.01
Rot. Bonds5

About 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine

2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine (PubChem CID 89433011) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine.

Molecular Properties

Compound Name2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine
PubChem CID89433011
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine
SMILESCCC(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO2/c1-4-12(3)19-13-5-7-14(8-6-13)20-16-15(17)9-11(2)10-18-16/h5-10,12H,4H2,1-3H3
InChIKeyMQNNOJXGASJIOB-UHFFFAOYSA-N
XLogP5.01
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.78
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine?
The IUPAC name of 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine (CID 89433011) is 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine.
What is the SMILES notation for 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine?
The canonical SMILES for 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine is CCC(C)Oc1ccc(Oc2ncc(C)cc2Cl)cc1.
What is the InChIKey of 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine?
The InChIKey is MQNNOJXGASJIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-4-12(3)19-13-5-7-14(8-6-13)20-16-15(17)9-11(2)10-18-16/h5-10,12H,4H2,1-3H3.
What are the key properties of 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine?
2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine has a molecular weight of 291.78 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yloxyphenoxy)-3-chloro-5-methylpyridine is sourced from PubChem (CID 89433011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).