3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine

C26H23FN2O2 — CID 67265019

IUPAC3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine
SMILESCOc1ccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)cc1OC
InChIInChI=1S/C26H23FN2O2/c1-30-25-10-8-19(14-26(25)31-2)24-15-22(27)9-7-18(24)13-23(20-5-3-11-28-16-20)21-6-4-12-29-17-21/h3-12,14-17,23H,13H2,1-2H3
InChIKeyOHOUAUNMWZJXAT-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.67
Rot. Bonds7

About 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine

3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine (PubChem CID 67265019) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine.

Molecular Properties

Compound Name3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine
PubChem CID67265019
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine
SMILESCOc1ccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)cc1OC
InChIInChI=1S/C26H23FN2O2/c1-30-25-10-8-19(14-26(25)31-2)24-15-22(27)9-7-18(24)13-23(20-5-3-11-28-16-20)21-6-4-12-29-17-21/h3-12,14-17,23H,13H2,1-2H3
InChIKeyOHOUAUNMWZJXAT-UHFFFAOYSA-N
XLogP5.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine?
The IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine (CID 67265019) is 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine.
What is the SMILES notation for 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine?
The canonical SMILES for 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine is COc1ccc(-c2cc(F)ccc2CC(c2cccnc2)c2cccnc2)cc1OC.
What is the InChIKey of 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine?
The InChIKey is OHOUAUNMWZJXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c1-30-25-10-8-19(14-26(25)31-2)24-15-22(27)9-7-18(24)13-23(20-5-3-11-28-16-20)21-6-4-12-29-17-21/h3-12,14-17,23H,13H2,1-2H3.
What are the key properties of 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine?
3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine has a molecular weight of 414.48 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,4-dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine is sourced from PubChem (CID 67265019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).