5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine

C8H6BrClF3NO — CID 103583728

IUPAC5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCC(Oc1ncc(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C8H6BrClF3NO/c1-4(8(11,12)13)15-7-6(10)2-5(9)3-14-7/h2-4H,1H3
InChIKeyQLYNNBNILBQISJ-UHFFFAOYSA-N
MW304.49 g/mol
LogP3.83
Rot. Bonds2

About 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine

5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine (PubChem CID 103583728) has the molecular formula C8H6BrClF3NO and a molecular weight of 304.49 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
PubChem CID103583728
Molecular FormulaC8H6BrClF3NO
Molecular Weight304.49 g/mol
Exact Mass302.93
IUPAC Name5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine
SMILESCC(Oc1ncc(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C8H6BrClF3NO/c1-4(8(11,12)13)15-7-6(10)2-5(9)3-14-7/h2-4H,1H3
InChIKeyQLYNNBNILBQISJ-UHFFFAOYSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dichloro-2-methoxypyridine
CID 21354187
3-Chloro-2-ethoxypyridine
CID 11959087
5-Bromo-3-chloro-2-methoxypyridine
CID 40427004
3-Chloro-2-(propan-2-yloxy)-5-(trifluoromethyl)pyridine
CID 2386954
3-Chloro-2-methoxy-5-(trifluoromethyl)pyridine
CID 2736618
3-Bromo-5-chloro-2-methoxypyridine
CID 13567751
5-Bromo-2-chloro-3-methoxypyridine
CID 16748108
5-Bromo-2-(2,2-difluoroethoxy)pyridine
CID 21914342
5-Bromo-2-(1-methylethoxy)pyridine
CID 21935068
3-Bromo-2-isopropoxypyridine
CID 21952727
5-Bromo-2-(2,2,2-trifluoroethoxy)pyridine
CID 22391964
3-Bromo-2-(2,2,2-trifluoroethoxy)pyridine
CID 22591254

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The IUPAC name of 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine (CID 103583728) is 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine is CC(Oc1ncc(Br)cc1Cl)C(F)(F)F.
What is the InChIKey of 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
The InChIKey is QLYNNBNILBQISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3NO/c1-4(8(11,12)13)15-7-6(10)2-5(9)3-14-7/h2-4H,1H3.
What are the key properties of 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine?
5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine has a molecular weight of 304.49 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine is sourced from PubChem (CID 103583728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).