5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine

C12H8BrF3N2O — CID 135246490

IUPAC5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cc(Oc2ncccc2Br)cnc1C(F)(F)F
InChIInChI=1S/C12H8BrF3N2O/c1-7-5-8(6-18-10(7)12(14,15)16)19-11-9(13)3-2-4-17-11/h2-6H,1H3
InChIKeyKWROPGCPOUUVAD-UHFFFAOYSA-N
MW333.11 g/mol
LogP4.36
Rot. Bonds2

About 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine

5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine (PubChem CID 135246490) has the molecular formula C12H8BrF3N2O and a molecular weight of 333.11 g/mol. Its IUPAC name is 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine
PubChem CID135246490
Molecular FormulaC12H8BrF3N2O
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cc(Oc2ncccc2Br)cnc1C(F)(F)F
InChIInChI=1S/C12H8BrF3N2O/c1-7-5-8(6-18-10(7)12(14,15)16)19-11-9(13)3-2-4-17-11/h2-6H,1H3
InChIKeyKWROPGCPOUUVAD-UHFFFAOYSA-N
XLogP4.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(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

3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
CID 135246459
5-[(3-bromo-2-pyridinyl)oxy]pyridin-2-amine
CID 135246357
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
3-bromo-2-(3-fluorophenoxy)pyridine
CID 55139159
3-[(3-bromo-2-pyridinyl)oxy]aniline
CID 61372982
4-[(3-bromo-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672787
5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 170993860
3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
CID 114673272
5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine
CID 170311859
N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine
CID 135246616
3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
CID 63462551

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine (CID 135246490) is 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine is Cc1cc(Oc2ncccc2Br)cnc1C(F)(F)F.
What is the InChIKey of 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is KWROPGCPOUUVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O/c1-7-5-8(6-18-10(7)12(14,15)16)19-11-9(13)3-2-4-17-11/h2-6H,1H3.
What are the key properties of 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine?
5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 333.11 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 135246490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).