6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine

C31H29FN2O2 — CID 10367883

IUPAC6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccc(C3=CCN(Cc4ccc(F)cc4)CC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H29FN2O2/c1-35-27-11-5-23(6-12-27)29-15-16-30(33-31(29)25-7-13-28(36-2)14-8-25)24-17-19-34(20-18-24)21-22-3-9-26(32)10-4-22/h3-17H,18-21H2,1-2H3
InChIKeyNYLYDDQMUBWRDX-UHFFFAOYSA-N
MW480.58 g/mol
LogP6.86
Rot. Bonds7

About 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine

6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine (PubChem CID 10367883) has the molecular formula C31H29FN2O2 and a molecular weight of 480.58 g/mol. Its IUPAC name is 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine
PubChem CID10367883
Molecular FormulaC31H29FN2O2
Molecular Weight480.58 g/mol
Exact Mass480.22
IUPAC Name6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2ccc(C3=CCN(Cc4ccc(F)cc4)CC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C31H29FN2O2/c1-35-27-11-5-23(6-12-27)29-15-16-30(33-31(29)25-7-13-28(36-2)14-8-25)24-17-19-34(20-18-24)21-22-3-9-26(32)10-4-22/h3-17H,18-21H2,1-2H3
InChIKeyNYLYDDQMUBWRDX-UHFFFAOYSA-N
XLogP6.86
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.58
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine?
The IUPAC name of 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine (CID 10367883) is 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine.
What is the SMILES notation for 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine?
The canonical SMILES for 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine is COc1ccc(-c2ccc(C3=CCN(Cc4ccc(F)cc4)CC3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine?
The InChIKey is NYLYDDQMUBWRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN2O2/c1-35-27-11-5-23(6-12-27)29-15-16-30(33-31(29)25-7-13-28(36-2)14-8-25)24-17-19-34(20-18-24)21-22-3-9-26(32)10-4-22/h3-17H,18-21H2,1-2H3.
What are the key properties of 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine?
6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine has a molecular weight of 480.58 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-2,3-bis(4-methoxyphenyl)pyridine is sourced from PubChem (CID 10367883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).