2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine

C16H18ClNO — CID 61268989

IUPAC2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine
SMILESCCC(C)c1ccccc1Oc1ccc(CCl)cn1
InChIInChI=1S/C16H18ClNO/c1-3-12(2)14-6-4-5-7-15(14)19-16-9-8-13(10-17)11-18-16/h4-9,11-12H,3,10H2,1-2H3
InChIKeyXLBXFAKSXNVLHQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP5.13
Rot. Bonds5

About 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine

2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine (PubChem CID 61268989) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine
PubChem CID61268989
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine
SMILESCCC(C)c1ccccc1Oc1ccc(CCl)cn1
InChIInChI=1S/C16H18ClNO/c1-3-12(2)14-6-4-5-7-15(14)19-16-9-8-13(10-17)11-18-16/h4-9,11-12H,3,10H2,1-2H3
InChIKeyXLBXFAKSXNVLHQ-UHFFFAOYSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.78
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2R)-butan-2-yl]phenoxy]-5-(trifluoromethyl)pyridine
CID 894667
[6-(2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 16781989
2-[6-(2-propan-2-ylphenoxy)-3-pyridinyl]ethanamine
CID 80640158
5-(chloromethyl)-2-ethoxypyridine
CID 10535190
4-(2-butan-2-ylphenoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80943134
5-(chloromethyl)-2-ethoxypyridine;hydrochloride
CID 21271667
5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61268972
5-chloro-2-(2-propan-2-ylphenoxy)pyridine
CID 66234112
[6-(2-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 16793659
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916193
6-(2-butan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80881551
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine (CID 61268989) is 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine is CCC(C)c1ccccc1Oc1ccc(CCl)cn1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine?
The InChIKey is XLBXFAKSXNVLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-12(2)14-6-4-5-7-15(14)19-16-9-8-13(10-17)11-18-16/h4-9,11-12H,3,10H2,1-2H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine?
2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine has a molecular weight of 275.78 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine is sourced from PubChem (CID 61268989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).