4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine

C12H18ClNO2 — CID 112588535

IUPAC4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
SMILESCC(C)(C)OCCOc1cc(CCl)ccn1
InChIInChI=1S/C12H18ClNO2/c1-12(2,3)16-7-6-15-11-8-10(9-13)4-5-14-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyKJDATKRKNCJJTM-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.01
Rot. Bonds5

About 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine

4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine (PubChem CID 112588535) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
PubChem CID112588535
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
SMILESCC(C)(C)OCCOc1cc(CCl)ccn1
InChIInChI=1S/C12H18ClNO2/c1-12(2,3)16-7-6-15-11-8-10(9-13)4-5-14-11/h4-5,8H,6-7,9H2,1-3H3
InChIKeyKJDATKRKNCJJTM-UHFFFAOYSA-N
XLogP3.01
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.01
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

4-(chloromethyl)-2-(2-propan-2-yloxyethoxy)pyridine
CID 61268408
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
4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzene
CID 115942949
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
N-[[2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104566379
1-[2-(3,3-dimethylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 66225919
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112587541
4-(chloromethyl)-2-methylpyridine
CID 12675262
N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288778

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The IUPAC name of 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine (CID 112588535) is 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The canonical SMILES for 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine is CC(C)(C)OCCOc1cc(CCl)ccn1.
What is the InChIKey of 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The InChIKey is KJDATKRKNCJJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-12(2,3)16-7-6-15-11-8-10(9-13)4-5-14-11/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine has a molecular weight of 243.73 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine is sourced from PubChem (CID 112588535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).