2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine

C14H10Cl2F3NO2 — CID 134106504

IUPAC2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(COc2nc(Cl)c(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2F3NO2/c1-21-9-4-2-8(3-5-9)7-22-13-11(15)6-10(12(16)20-13)14(17,18)19/h2-6H,7H2,1H3
InChIKeyQPIFGTTYEKDCIU-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.99
Rot. Bonds4

About 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine

2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine (PubChem CID 134106504) has the molecular formula C14H10Cl2F3NO2 and a molecular weight of 352.14 g/mol. Its IUPAC name is 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine
PubChem CID134106504
Molecular FormulaC14H10Cl2F3NO2
Molecular Weight352.14 g/mol
Exact Mass351.00
IUPAC Name2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine
SMILESCOc1ccc(COc2nc(Cl)c(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H10Cl2F3NO2/c1-21-9-4-2-8(3-5-9)7-22-13-11(15)6-10(12(16)20-13)14(17,18)19/h2-6H,7H2,1H3
InChIKeyQPIFGTTYEKDCIU-UHFFFAOYSA-N
XLogP4.99
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
CID 102715155
2-chloro-5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine
CID 119010463
3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine
CID 170793879
1-[4-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)phenyl]ethanone
CID 59384444
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile
CID 66572971
4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine
CID 59184713
[5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxalin-2-yl]hydrazine
CID 66573079
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
2-chloro-6-[2-(4-methoxyphenyl)ethyl]-4-methyl-3-(trifluoromethyl)pyridine
CID 163567720
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine (CID 134106504) is 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine is COc1ccc(COc2nc(Cl)c(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine?
The InChIKey is QPIFGTTYEKDCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3NO2/c1-21-9-4-2-8(3-5-9)7-22-13-11(15)6-10(12(16)20-13)14(17,18)19/h2-6H,7H2,1H3.
What are the key properties of 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine?
2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine has a molecular weight of 352.14 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-[(4-methoxyphenyl)methoxy]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134106504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).