2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine

C34H21F4N3O3 — CID 58106807

IUPAC2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine
SMILESFc1ccccc1Oc1cccc(C(F)(c2cccc(Oc3ccccc3F)n2)c2cccc(Oc3ccccc3F)n2)n1
InChIInChI=1S/C34H21F4N3O3/c35-22-10-1-4-13-25(22)42-31-19-7-16-28(39-31)34(38,29-17-8-20-32(40-29)43-26-14-5-2-11-23(26)36)30-18-9-21-33(41-30)44-27-15-6-3-12-24(27)37/h1-21H
InChIKeyHCJKDGKGGQXGFG-UHFFFAOYSA-N
MW595.55 g/mol
LogP8.93
Rot. Bonds9

About 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine

2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine (PubChem CID 58106807) has the molecular formula C34H21F4N3O3 and a molecular weight of 595.55 g/mol. Its IUPAC name is 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine.

Molecular Properties

Compound Name2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine
PubChem CID58106807
Molecular FormulaC34H21F4N3O3
Molecular Weight595.55 g/mol
Exact Mass595.15
IUPAC Name2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine
SMILESFc1ccccc1Oc1cccc(C(F)(c2cccc(Oc3ccccc3F)n2)c2cccc(Oc3ccccc3F)n2)n1
InChIInChI=1S/C34H21F4N3O3/c35-22-10-1-4-13-25(22)42-31-19-7-16-28(39-31)34(38,29-17-8-20-32(40-29)43-26-14-5-2-11-23(26)36)30-18-9-21-33(41-30)44-27-15-6-3-12-24(27)37/h1-21H
InChIKeyHCJKDGKGGQXGFG-UHFFFAOYSA-N
XLogP8.93
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.55
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-fluoro-2,4-bis(4-fluorophenyl)-5H-chromeno[4,3-b]pyridine
CID 17757045
6-(4-Fluorophenyl)-2-phenoxynicotinonitrile
CID 2765293
9-fluoro-2,4-diphenyl-5H-chromeno[4,3-b]pyridine
CID 17757040
2-(4-Fluorophenoxy)-6-(4-fluorophenyl)nicotinonitrile
CID 2765296
2-(4-fluorophenyl)-4-phenyl-5H-chromeno[4,3-b]pyridine
CID 17757007
9-fluoro-2-(4-fluorophenyl)-4-phenyl-5H-chromeno[4,3-b]pyridine
CID 17757041
9-fluoro-2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5H-chromeno[4,3-b]pyridine
CID 17757047
2-Fluoro-5-[2-[[6-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridin-2-yl]methyl]phenyl]pyridine
CID 118073511
2-[3-(Difluoromethyl)-4-fluorophenoxy]-6-(2-fluoro-3-methoxyphenyl)pyridine
CID 166636269
2-Phenoxy-6-(3-(trifluoromethyl)phenyl)pyridin
CID 71574031
2-Phenoxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 102190448
2',6'-Difluoro-6-[3-(pyridin-2-yloxy)phenyl]-2,3'-bipyridine
CID 168308207

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine?
The IUPAC name of 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine (CID 58106807) is 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine.
What is the SMILES notation for 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine?
The canonical SMILES for 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine is Fc1ccccc1Oc1cccc(C(F)(c2cccc(Oc3ccccc3F)n2)c2cccc(Oc3ccccc3F)n2)n1.
What is the InChIKey of 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine?
The InChIKey is HCJKDGKGGQXGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F4N3O3/c35-22-10-1-4-13-25(22)42-31-19-7-16-28(39-31)34(38,29-17-8-20-32(40-29)43-26-14-5-2-11-23(26)36)30-18-9-21-33(41-30)44-27-15-6-3-12-24(27)37/h1-21H.
What are the key properties of 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine?
2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine has a molecular weight of 595.55 g/mol, XLogP of 8.93, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-bis[6-(2-fluorophenoxy)-2-pyridinyl]methyl]-6-(2-fluorophenoxy)pyridine is sourced from PubChem (CID 58106807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).