3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium

C27H25ClN2O3Re — CID 20822491

IUPAC3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium
SMILESC=O.C=O.C=O.Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3C)ccc2Cl)n1.[Re]
InChIInChI=1S/C24H19ClN2.3CH2O.Re/c1-16-8-3-5-10-18(16)21-12-7-13-23(26-21)24-20(25)14-15-22(27-24)19-11-6-4-9-17(19)2;3*1-2;/h3-15H,1-2H3;3*1H2;
InChIKeyVZQXECSIWXLJAF-UHFFFAOYSA-N
MW647.17 g/mol
LogP6.19
Rot. Bonds3

About 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium

3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium (PubChem CID 20822491) has the molecular formula C27H25ClN2O3Re and a molecular weight of 647.17 g/mol. Its IUPAC name is 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium.

Molecular Properties

Compound Name3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium
PubChem CID20822491
Molecular FormulaC27H25ClN2O3Re
Molecular Weight647.17 g/mol
Exact Mass647.11
IUPAC Name3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium
SMILESC=O.C=O.C=O.Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3C)ccc2Cl)n1.[Re]
InChIInChI=1S/C24H19ClN2.3CH2O.Re/c1-16-8-3-5-10-18(16)21-12-7-13-23(26-21)24-20(25)14-15-22(27-24)19-11-6-4-9-17(19)2;3*1-2;/h3-15H,1-2H3;3*1H2;
InChIKeyVZQXECSIWXLJAF-UHFFFAOYSA-N
XLogP6.19
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.17
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium?
The IUPAC name of 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium (CID 20822491) is 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium.
What is the SMILES notation for 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium?
The canonical SMILES for 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium is C=O.C=O.C=O.Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3C)ccc2Cl)n1.[Re].
What is the InChIKey of 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium?
The InChIKey is VZQXECSIWXLJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2.3CH2O.Re/c1-16-8-3-5-10-18(16)21-12-7-13-23(26-21)24-20(25)14-15-22(27-24)19-11-6-4-9-17(19)2;3*1-2;/h3-15H,1-2H3;3*1H2;.
What are the key properties of 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium?
3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium has a molecular weight of 647.17 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2-methylphenyl)-2-[6-(2-methylphenyl)-2-pyridinyl]pyridine;formaldehyde;rhenium is sourced from PubChem (CID 20822491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).