2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine

C12H18ClNO2 — CID 112587564

IUPAC2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
SMILESCc1cnc(Cl)cc1OCCOC(C)(C)C
InChIInChI=1S/C12H18ClNO2/c1-9-8-14-11(13)7-10(9)15-5-6-16-12(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyXGVTWAXPPDOGFG-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.24
Rot. Bonds4

About 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine

2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine (PubChem CID 112587564) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
PubChem CID112587564
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
SMILESCc1cnc(Cl)cc1OCCOC(C)(C)C
InChIInChI=1S/C12H18ClNO2/c1-9-8-14-11(13)7-10(9)15-5-6-16-12(2,3)4/h7-8H,5-6H2,1-4H3
InChIKeyXGVTWAXPPDOGFG-UHFFFAOYSA-N
XLogP3.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2-cyclobutylethoxy)-5-methylpyridine
CID 106201416
2-chloro-5-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 83269005
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 83268152
4-[(E)-but-2-enoxy]-2-chloro-5-methylpyridine
CID 83270118
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
3-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587104
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
CID 83269241
2-chloro-4-[(2-fluorophenyl)methoxy]-5-methylpyridine
CID 83269019
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carbonitrile
CID 112703950
2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 138473747
2-chloro-4-(4-ethoxyphenoxy)-5-methylpyridine
CID 83268533
5-bromo-2-chloro-4-[(2-methylpropan-2-yl)oxy]pyridine
CID 133060770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The IUPAC name of 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine (CID 112587564) is 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine.
What is the SMILES notation for 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The canonical SMILES for 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine is Cc1cnc(Cl)cc1OCCOC(C)(C)C.
What is the InChIKey of 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
The InChIKey is XGVTWAXPPDOGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9-8-14-11(13)7-10(9)15-5-6-16-12(2,3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine?
2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine has a molecular weight of 243.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine is sourced from PubChem (CID 112587564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).