2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine

C15H15ClFNO — CID 81285132

IUPAC2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine
SMILESCOc1cc(C(Cl)Cc2ccc(C)cn2)ccc1F
InChIInChI=1S/C15H15ClFNO/c1-10-3-5-12(18-9-10)8-13(16)11-4-6-14(17)15(7-11)19-2/h3-7,9,13H,8H2,1-2H3
InChIKeyLYIYICVYOCUNQA-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.06
Rot. Bonds4

About 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine

2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine (PubChem CID 81285132) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine
PubChem CID81285132
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine
SMILESCOc1cc(C(Cl)Cc2ccc(C)cn2)ccc1F
InChIInChI=1S/C15H15ClFNO/c1-10-3-5-12(18-9-10)8-13(16)11-4-6-14(17)15(7-11)19-2/h3-7,9,13H,8H2,1-2H3
InChIKeyLYIYICVYOCUNQA-UHFFFAOYSA-N
XLogP4.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.06
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-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine
CID 66461822
4-[1-chloro-2-(4-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284003
2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
CID 66460220
4-[1-chloro-2-(3-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284301
4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 114838475
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 81284969
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
CID 81325148
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285
2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
CID 66455091
1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 81284853
2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 81284211

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine (CID 81285132) is 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine is COc1cc(C(Cl)Cc2ccc(C)cn2)ccc1F.
What is the InChIKey of 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine?
The InChIKey is LYIYICVYOCUNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-3-5-12(18-9-10)8-13(16)11-4-6-14(17)15(7-11)19-2/h3-7,9,13H,8H2,1-2H3.
What are the key properties of 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine?
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine has a molecular weight of 279.74 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 81285132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).