6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine

C12H6ClF4NO — CID 157036896

IUPAC6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine
SMILESFc1nc(Cl)ccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6ClF4NO/c13-10-5-4-9(11(14)18-10)19-8-3-1-2-7(6-8)12(15,16)17/h1-6H
InChIKeySHXDRRQSHQZPCM-UHFFFAOYSA-N
MW291.63 g/mol
LogP4.69
Rot. Bonds2

About 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine

6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 157036896) has the molecular formula C12H6ClF4NO and a molecular weight of 291.63 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID157036896
Molecular FormulaC12H6ClF4NO
Molecular Weight291.63 g/mol
Exact Mass291.01
IUPAC Name6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine
SMILESFc1nc(Cl)ccc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H6ClF4NO/c13-10-5-4-9(11(14)18-10)19-8-3-1-2-7(6-8)12(15,16)17/h1-6H
InChIKeySHXDRRQSHQZPCM-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
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

6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid
CID 157036894
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396
[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine
CID 22142155
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 83072753
[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride
CID 22142154
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
N-[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-2H-pyrrol-3-amine
CID 141205664

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine (CID 157036896) is 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine is Fc1nc(Cl)ccc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is SHXDRRQSHQZPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4NO/c13-10-5-4-9(11(14)18-10)19-8-3-1-2-7(6-8)12(15,16)17/h1-6H.
What are the key properties of 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine?
6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 291.63 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 157036896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).