2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine

C16H15ClF3NO — CID 163567720

IUPAC2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(CCc2cc(C)c(C(F)(F)F)c(Cl)n2)cc1
InChIInChI=1S/C16H15ClF3NO/c1-10-9-12(21-15(17)14(10)16(18,19)20)6-3-11-4-7-13(22-2)8-5-11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyMQSOPYSQPDSZEM-UHFFFAOYSA-N
MW329.75 g/mol
LogP4.86
Rot. Bonds4

About 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine

2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine (PubChem CID 163567720) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine
PubChem CID163567720
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(CCc2cc(C)c(C(F)(F)F)c(Cl)n2)cc1
InChIInChI=1S/C16H15ClF3NO/c1-10-9-12(21-15(17)14(10)16(18,19)20)6-3-11-4-7-13(22-2)8-5-11/h4-5,7-9H,3,6H2,1-2H3
InChIKeyMQSOPYSQPDSZEM-UHFFFAOYSA-N
XLogP4.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine
CID 134106504
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 172607469
6-(2,4-dichloro-8-fluoropyrido[4,3-d]pyrimidin-7-yl)-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 166453927
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
1-chloro-3-(difluoromethyl)-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 138646772
2-[2-(4-methoxyphenyl)ethyl]-4-methylthiophene
CID 70158894
2-[(4-methoxyphenyl)methyl]-4,5-dimethylpyridine
CID 11172203
3-bromo-5-chloro-N,N-bis[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)aniline
CID 170907615
CID 170594396
CID 170594396
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
CID 102715155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine (CID 163567720) is 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine is COc1ccc(CCc2cc(C)c(C(F)(F)F)c(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is MQSOPYSQPDSZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO/c1-10-9-12(21-15(17)14(10)16(18,19)20)6-3-11-4-7-13(22-2)8-5-11/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine?
2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 329.75 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 163567720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).