3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine

C12H6ClF4NO — CID 133088932

IUPAC3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
SMILESFc1nccc(-c2ccccc2OC(F)(F)F)c1Cl
InChIInChI=1S/C12H6ClF4NO/c13-10-8(5-6-18-11(10)14)7-3-1-2-4-9(7)19-12(15,16)17/h1-6H
InChIKeySOVGICNXVFAMNI-UHFFFAOYSA-N
MW291.63 g/mol
LogP4.44
Rot. Bonds2

About 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine

3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine (PubChem CID 133088932) has the molecular formula C12H6ClF4NO and a molecular weight of 291.63 g/mol. Its IUPAC name is 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
PubChem CID133088932
Molecular FormulaC12H6ClF4NO
Molecular Weight291.63 g/mol
Exact Mass291.01
IUPAC Name3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
SMILESFc1nccc(-c2ccccc2OC(F)(F)F)c1Cl
InChIInChI=1S/C12H6ClF4NO/c13-10-8(5-6-18-11(10)14)7-3-1-2-4-9(7)19-12(15,16)17/h1-6H
InChIKeySOVGICNXVFAMNI-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.63
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 119003076
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
2,4-dichloro-3-[2-(trifluoromethoxy)phenyl]pyridine
CID 134617905
2-fluoro-3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 133089361
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
2-[2-chloro-3-[2-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119022722
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyridine
CID 118801728
3,4,5-tris[2-(trifluoromethoxy)phenyl]pyridine
CID 134622953

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine (CID 133088932) is 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine is Fc1nccc(-c2ccccc2OC(F)(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is SOVGICNXVFAMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4NO/c13-10-8(5-6-18-11(10)14)7-3-1-2-4-9(7)19-12(15,16)17/h1-6H.
What are the key properties of 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine?
3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 291.63 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 133088932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).