2-chloro-5-(4-ethylphenoxy)-3-methylpyridine

C14H14ClNO — CID 82225211

IUPAC2-chloro-5-(4-ethylphenoxy)-3-methylpyridine
SMILESCCc1ccc(Oc2cnc(Cl)c(C)c2)cc1
InChIInChI=1S/C14H14ClNO/c1-3-11-4-6-12(7-5-11)17-13-8-10(2)14(15)16-9-13/h4-9H,3H2,1-2H3
InChIKeyVLVDYPAQKVUZRK-UHFFFAOYSA-N
MW247.72 g/mol
LogP4.40
Rot. Bonds3

About 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine

2-chloro-5-(4-ethylphenoxy)-3-methylpyridine (PubChem CID 82225211) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine.

Molecular Properties

Compound Name2-chloro-5-(4-ethylphenoxy)-3-methylpyridine
PubChem CID82225211
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-chloro-5-(4-ethylphenoxy)-3-methylpyridine
SMILESCCc1ccc(Oc2cnc(Cl)c(C)c2)cc1
InChIInChI=1S/C14H14ClNO/c1-3-11-4-6-12(7-5-11)17-13-8-10(2)14(15)16-9-13/h4-9H,3H2,1-2H3
InChIKeyVLVDYPAQKVUZRK-UHFFFAOYSA-N
XLogP4.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(3,5-dimethylphenoxy)-3-methylpyridine
CID 82225212
4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline
CID 20537920
4-(4-ethylphenoxy)-2-methylaniline
CID 26190351
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
1-[4-(4-ethylphenoxy)-2,6-dimethylphenyl]ethanone
CID 158467095
4-(4-ethylphenoxy)-2-methylbenzaldehyde
CID 63534458
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
4-chloro-6-(4-ethylphenoxy)-2,5-dimethylpyrimidine
CID 63736051
1-ethyl-4-(4-propan-2-ylphenoxy)benzene
CID 66612955
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
1-ethyl-4-(4-iodophenoxy)benzene
CID 118066756
[4-(4-ethylphenoxy)-2-pyridinyl]methanamine
CID 62295885

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine?
The IUPAC name of 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine (CID 82225211) is 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine.
What is the SMILES notation for 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine?
The canonical SMILES for 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine is CCc1ccc(Oc2cnc(Cl)c(C)c2)cc1.
What is the InChIKey of 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine?
The InChIKey is VLVDYPAQKVUZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-3-11-4-6-12(7-5-11)17-13-8-10(2)14(15)16-9-13/h4-9H,3H2,1-2H3.
What are the key properties of 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine?
2-chloro-5-(4-ethylphenoxy)-3-methylpyridine has a molecular weight of 247.72 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-ethylphenoxy)-3-methylpyridine is sourced from PubChem (CID 82225211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).