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

C15H15ClFN — CID 66461822

IUPAC2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C15H15ClFN/c1-10-3-5-13(18-9-10)8-14(16)12-4-6-15(17)11(2)7-12/h3-7,9,14H,8H2,1-2H3
InChIKeyRTPLYVDVCXWUGI-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.36
Rot. Bonds3

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

2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine (PubChem CID 66461822) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine
PubChem CID66461822
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Cl)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C15H15ClFN/c1-10-3-5-13(18-9-10)8-14(16)12-4-6-15(17)11(2)7-12/h3-7,9,14H,8H2,1-2H3
InChIKeyRTPLYVDVCXWUGI-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methoxyphenyl)ethyl]-5-methylpyridine
CID 81285132
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-5-methylpyridine
CID 81325148
2-[2-chloro-2-(2,4-dichlorophenyl)ethyl]-5-methylpyridine
CID 66461226
2-[2-chloro-2-(3,5-dimethoxyphenyl)ethyl]-5-methylpyridine
CID 66460220
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
2-[2-bromo-2-(4-chlorophenyl)ethyl]-5-methylpyridine
CID 66453360
2-[2-chloro-2-(2,5-dibromophenyl)ethyl]-5-methylpyridine
CID 114376362
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 79739804
2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
CID 66455091
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 79747809
2-[2-bromo-2-(5-chloro-2-methylphenyl)ethyl]-5-methylpyridine
CID 82890690

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine (CID 66461822) is 2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine is Cc1ccc(CC(Cl)c2ccc(F)c(C)c2)nc1.
What is the InChIKey of 2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine?
The InChIKey is RTPLYVDVCXWUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-3-5-13(18-9-10)8-14(16)12-4-6-15(17)11(2)7-12/h3-7,9,14H,8H2,1-2H3.
What are the key properties of 2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine?
2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine has a molecular weight of 263.74 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-5-methylpyridine is sourced from PubChem (CID 66461822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).