4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine

C11H16ClNO2 — CID 61268408

IUPAC4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
SMILESCC(C)OCCOc1cc(CCl)ccn1
InChIInChI=1S/C11H16ClNO2/c1-9(2)14-5-6-15-11-7-10(8-12)3-4-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyKEQAIACLFCCRIZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.62
Rot. Bonds6

About 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine

4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine (PubChem CID 61268408) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
PubChem CID61268408
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
SMILESCC(C)OCCOc1cc(CCl)ccn1
InChIInChI=1S/C11H16ClNO2/c1-9(2)14-5-6-15-11-7-10(8-12)3-4-13-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyKEQAIACLFCCRIZ-UHFFFAOYSA-N
XLogP2.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 61256549
4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112588535
3-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 61269544
2-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-diethylethanamine
CID 61268983
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
5-chloro-4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 114921190
2-(chloromethyl)-5-(2-propan-2-yloxyethoxy)pyrazine
CID 107373642
3-chloro-2-(chloromethyl)-6-(2-propan-2-yloxyethoxy)pyridine
CID 61268038
3-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 61268037
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
4-(chloromethyl)-2-methylpyridine
CID 12675262

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine (CID 61268408) is 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine is CC(C)OCCOc1cc(CCl)ccn1.
What is the InChIKey of 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine?
The InChIKey is KEQAIACLFCCRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-9(2)14-5-6-15-11-7-10(8-12)3-4-13-11/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine?
4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine has a molecular weight of 229.71 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine is sourced from PubChem (CID 61268408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).