4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine

C14H12BrF3N2O2 — CID 150415124

IUPAC4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine
SMILESCCOc1c(Br)ccnc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H12BrF3N2O2/c1-2-21-12-10(15)5-6-19-13(12)22-8-9-3-4-11(20-7-9)14(16,17)18/h3-7H,2,8H2,1H3
InChIKeyHGPPCSZXGKVJIP-UHFFFAOYSA-N
MW377.16 g/mol
LogP4.24
Rot. Bonds5

About 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine

4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine (PubChem CID 150415124) has the molecular formula C14H12BrF3N2O2 and a molecular weight of 377.16 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine.

Molecular Properties

Compound Name4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine
PubChem CID150415124
Molecular FormulaC14H12BrF3N2O2
Molecular Weight377.16 g/mol
Exact Mass376.00
IUPAC Name4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine
SMILESCCOc1c(Br)ccnc1OCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H12BrF3N2O2/c1-2-21-12-10(15)5-6-19-13(12)22-8-9-3-4-11(20-7-9)14(16,17)18/h3-7H,2,8H2,1H3
InChIKeyHGPPCSZXGKVJIP-UHFFFAOYSA-N
XLogP4.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.16
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10155760, Example 207
CID 118420269
(5S)-3-bromo-5-[6-methyl-5-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]-4,5-dihydro-1,2-oxazole
CID 155344251
2-(3-Bromophenoxy)-3-(3-pyridin-4-ylpropoxy)pyridine
CID 9800266
(5R)-3-bromo-5-[6-methyl-5-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]-4,5-dihydro-1,2-oxazole
CID 155344433
2-(3-Pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridine
CID 172437805
N-[(5-bromo-2-fluorophenyl)methyl]-1-(5-ethoxy-2-pyridinyl)-N-methylmethanamine
CID 72102224
2-Ethyl-6-methyl-3-(pyridin-3-ylmethoxy)pyridine
CID 119050036
2-(3-Fluorophenoxy)-3-(3-pyridin-4-ylpropoxy)pyridine
CID 9862039
2-[4-(Difluoromethoxy)phenyl]-5-ethoxypyridine
CID 19436266
2-[4-(Difluoromethoxy)phenyl]-5-propoxypyridine
CID 19436542
Pyridine, 2-[(6-methoxy-3-pyridinyl)oxy]-5-(trifluoromethyl)-
CID 22047745
2-Methyl-6-(2-pyridin-2-ylethoxy)-4-(trifluoromethyl)pyridine
CID 23380576

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine?
The IUPAC name of 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine (CID 150415124) is 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine.
What is the SMILES notation for 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine?
The canonical SMILES for 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine is CCOc1c(Br)ccnc1OCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine?
The InChIKey is HGPPCSZXGKVJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2O2/c1-2-21-12-10(15)5-6-19-13(12)22-8-9-3-4-11(20-7-9)14(16,17)18/h3-7H,2,8H2,1H3.
What are the key properties of 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine?
4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine has a molecular weight of 377.16 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethoxy-2-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine is sourced from PubChem (CID 150415124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).