5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine

C15H13F4NO2 — CID 154872395

IUPAC5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(C(F)(F)F)ccc1-c1ccc(OCCF)cn1
InChIInChI=1S/C15H13F4NO2/c1-21-14-8-10(15(17,18)19)2-4-12(14)13-5-3-11(9-20-13)22-7-6-16/h2-5,8-9H,6-7H2,1H3
InChIKeyDMGXEJFVHHVGHZ-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.12
Rot. Bonds5

About 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine

5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine (PubChem CID 154872395) has the molecular formula C15H13F4NO2 and a molecular weight of 315.27 g/mol. Its IUPAC name is 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
PubChem CID154872395
Molecular FormulaC15H13F4NO2
Molecular Weight315.27 g/mol
Exact Mass315.09
IUPAC Name5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cc(C(F)(F)F)ccc1-c1ccc(OCCF)cn1
InChIInChI=1S/C15H13F4NO2/c1-21-14-8-10(15(17,18)19)2-4-12(14)13-5-3-11(9-20-13)22-7-6-16/h2-5,8-9H,6-7H2,1H3
InChIKeyDMGXEJFVHHVGHZ-UHFFFAOYSA-N
XLogP4.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-fluoro-4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
CID 90313982
2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine-4-carbonitrile
CID 122686095
[4-[2-methoxy-4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 168665249
3-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine
CID 46317325
5-(2-fluoroethoxy)-2-propan-2-ylpyridine
CID 58448814
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226
6-[2-methyl-4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 102755510
2-(2,4-dimethoxyphenyl)-5-ethynylpyridine
CID 175646944
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 155973060
4-[[6-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(3-methoxy-6-propan-2-yl-2-pyridinyl)-5-(trifluoromethyl)phenyl]methyl]amino]-3-pyridinyl]oxy]butanoic acid
CID 88873594
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine (CID 154872395) is 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine is COc1cc(C(F)(F)F)ccc1-c1ccc(OCCF)cn1.
What is the InChIKey of 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is DMGXEJFVHHVGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO2/c1-21-14-8-10(15(17,18)19)2-4-12(14)13-5-3-11(9-20-13)22-7-6-16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine?
5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 315.27 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethoxy)-2-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 154872395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).