3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine

C24H19BrN2O2 — CID 167474815

IUPAC3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)nc1
InChIInChI=1S/C24H19BrN2O2/c25-20-11-13-22(26-15-20)21-12-14-23(28-16-18-7-3-1-4-8-18)27-24(21)29-17-19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyAUFGNNDTWQHHSC-UHFFFAOYSA-N
MW447.33 g/mol
LogP6.06
Rot. Bonds7

About 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine

3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine (PubChem CID 167474815) has the molecular formula C24H19BrN2O2 and a molecular weight of 447.33 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine
PubChem CID167474815
Molecular FormulaC24H19BrN2O2
Molecular Weight447.33 g/mol
Exact Mass446.06
IUPAC Name3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)nc1
InChIInChI=1S/C24H19BrN2O2/c25-20-11-13-22(26-15-20)21-12-14-23(28-16-18-7-3-1-4-8-18)27-24(21)29-17-19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyAUFGNNDTWQHHSC-UHFFFAOYSA-N
XLogP6.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.33
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine (CID 167474815) is 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine is Brc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)nc1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine?
The InChIKey is AUFGNNDTWQHHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O2/c25-20-11-13-22(26-15-20)21-12-14-23(28-16-18-7-3-1-4-8-18)27-24(21)29-17-19-9-5-2-6-10-19/h1-15H,16-17H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine?
3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine has a molecular weight of 447.33 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine is sourced from PubChem (CID 167474815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).