2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine

C16H18ClNO2 — CID 66460220

IUPAC2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
SMILESCOc1cc(OC)cc(C(Cl)Cc2ccc(C)cn2)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-5-13(18-10-11)8-16(17)12-6-14(19-2)9-15(7-12)20-3/h4-7,9-10,16H,8H2,1-3H3
InChIKeyTXPPYZPRNFWPTK-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.93
Rot. Bonds5

About 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine

2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine (PubChem CID 66460220) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
PubChem CID66460220
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
SMILESCOc1cc(OC)cc(C(Cl)Cc2ccc(C)cn2)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-5-13(18-10-11)8-16(17)12-6-14(19-2)9-15(7-12)20-3/h4-7,9-10,16H,8H2,1-3H3
InChIKeyTXPPYZPRNFWPTK-UHFFFAOYSA-N
XLogP3.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
CID 81325148
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine
CID 81285132
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine
CID 66461822
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285
2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66461226
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine
CID 114376362
1-[3-(difluoromethoxy)phenyl]-2-(5-methyl-2-pyridinyl)ethanol
CID 66460527
1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
CID 63519326
2-[2-bromo-2-(3,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66455303
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66448295
1-(3-bromo-5-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 107957878

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine (CID 66460220) is 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine is COc1cc(OC)cc(C(Cl)Cc2ccc(C)cn2)c1.
What is the InChIKey of 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine?
The InChIKey is TXPPYZPRNFWPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-4-5-13(18-10-11)8-16(17)12-6-14(19-2)9-15(7-12)20-3/h4-7,9-10,16H,8H2,1-3H3.
What are the key properties of 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine?
2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine has a molecular weight of 291.78 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 66460220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).