2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine

C13H9F4NO — CID 133089527

IUPAC2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cnc(F)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H9F4NO/c1-19-10-6-11(12(14)18-7-10)8-2-4-9(5-3-8)13(15,16)17/h2-7H,1H3
InChIKeyYRCLXXYZHMVMKB-UHFFFAOYSA-N
MW271.21 g/mol
LogP3.92
Rot. Bonds2

About 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine

2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 133089527) has the molecular formula C13H9F4NO and a molecular weight of 271.21 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID133089527
Molecular FormulaC13H9F4NO
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1cnc(F)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C13H9F4NO/c1-19-10-6-11(12(14)18-7-10)8-2-4-9(5-3-8)13(15,16)17/h2-7H,1H3
InChIKeyYRCLXXYZHMVMKB-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]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-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
CID 133090437
methyl 6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 133089897
4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
CID 155969730
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158
[2-(2-fluoro-5-methoxy-3-pyridinyl)phenyl]boronic acid
CID 162721422
1-bromo-2-(4-methoxyphenyl)-4-(trifluoromethyl)benzene
CID 102110780
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174394516
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine
CID 133089573
methyl 2-methoxy-5-[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634404

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine (CID 133089527) is 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine is COc1cnc(F)c(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is YRCLXXYZHMVMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO/c1-19-10-6-11(12(14)18-7-10)8-2-4-9(5-3-8)13(15,16)17/h2-7H,1H3.
What are the key properties of 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine?
2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 271.21 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 133089527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).