3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine

C23H13F5N2O — CID 146015193

IUPAC3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2ccc(-c3ccccn3)nc2-c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C23H13F5N2O/c1-31-13-7-5-12(6-8-13)14-9-10-16(15-4-2-3-11-29-15)30-23(14)17-18(24)20(26)22(28)21(27)19(17)25/h2-11H,1H3
InChIKeyYEGXPQGHNQSYGY-UHFFFAOYSA-N
MW428.36 g/mol
LogP6.18
Rot. Bonds4

About 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine

3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine (PubChem CID 146015193) has the molecular formula C23H13F5N2O and a molecular weight of 428.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine
PubChem CID146015193
Molecular FormulaC23H13F5N2O
Molecular Weight428.36 g/mol
Exact Mass428.09
IUPAC Name3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine
SMILESCOc1ccc(-c2ccc(-c3ccccn3)nc2-c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C23H13F5N2O/c1-31-13-7-5-12(6-8-13)14-9-10-16(15-4-2-3-11-29-15)30-23(14)17-18(24)20(26)22(28)21(27)19(17)25/h2-11H,1H3
InChIKeyYEGXPQGHNQSYGY-UHFFFAOYSA-N
XLogP6.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
1-[5-[1-[3,4-Bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridinyl]-1-phenylethanol
CID 9849838
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
4-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540055
1-[5-[1-[3,4-Bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridinyl]-1-phenylpropan-1-ol
CID 9828771
1-[5-[1-[3,4-Bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridinyl]-2-methyl-1-phenylpropan-1-ol
CID 9915714

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine (CID 146015193) is 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine is COc1ccc(-c2ccc(-c3ccccn3)nc2-c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine?
The InChIKey is YEGXPQGHNQSYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F5N2O/c1-31-13-7-5-12(6-8-13)14-9-10-16(15-4-2-3-11-29-15)30-23(14)17-18(24)20(26)22(28)21(27)19(17)25/h2-11H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine?
3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine has a molecular weight of 428.36 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 146015193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).