2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine

C19H10F7NO2 — CID 118829246

IUPAC2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
SMILESFc1cc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C19H10F7NO2/c20-17-9-15(11-1-5-13(6-2-11)28-18(21,22)23)16(10-27-17)12-3-7-14(8-4-12)29-19(24,25)26/h1-10H
InChIKeyPCEOMGBYXJZFFX-UHFFFAOYSA-N
MW417.28 g/mol
LogP6.35
Rot. Bonds4

About 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine

2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 118829246) has the molecular formula C19H10F7NO2 and a molecular weight of 417.28 g/mol. Its IUPAC name is 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID118829246
Molecular FormulaC19H10F7NO2
Molecular Weight417.28 g/mol
Exact Mass417.06
IUPAC Name2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
SMILESFc1cc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C19H10F7NO2/c20-17-9-15(11-1-5-13(6-2-11)28-18(21,22)23)16(10-27-17)12-3-7-14(8-4-12)29-19(24,25)26/h1-10H
InChIKeyPCEOMGBYXJZFFX-UHFFFAOYSA-N
XLogP6.35
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.28
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 133086821
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
2-[2,5-bis[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094062
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
6-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086741
2-chloro-5-methoxy-4-[4-(trifluoromethoxy)phenyl]pyridine
CID 119023507
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
2-[2-chloro-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119011409
4,5-bis[4-(trifluoromethoxy)phenyl]pyridazin-3-olate
CID 143625455
4-fluoro-6-[5-(trifluoromethoxy)-2-pyridinyl]pyrimidine
CID 178127406
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine (CID 118829246) is 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine is Fc1cc(-c2ccc(OC(F)(F)F)cc2)c(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is PCEOMGBYXJZFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F7NO2/c20-17-9-15(11-1-5-13(6-2-11)28-18(21,22)23)16(10-27-17)12-3-7-14(8-4-12)29-19(24,25)26/h1-10H.
What are the key properties of 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine?
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 417.28 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 118829246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).