1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol

C23H17Cl2N3O — CID 16722240

IUPAC1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
SMILESOC(c1cccnc1-c1cccc(Cl)c1Cl)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H17Cl2N3O/c24-19-9-1-7-17(21(19)25)22-18(8-4-12-28-22)23(29)20(15-5-2-10-26-13-15)16-6-3-11-27-14-16/h1-14,20,23,29H
InChIKeyMONUPDKEKDGEQN-UHFFFAOYSA-N
MW422.32 g/mol
LogP5.71
Rot. Bonds5

About 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol

1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol (PubChem CID 16722240) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol.

Molecular Properties

Compound Name1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
PubChem CID16722240
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC Name1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
SMILESOC(c1cccnc1-c1cccc(Cl)c1Cl)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H17Cl2N3O/c24-19-9-1-7-17(21(19)25)22-18(8-4-12-28-22)23(29)20(15-5-2-10-26-13-15)16-6-3-11-27-14-16/h1-14,20,23,29H
InChIKeyMONUPDKEKDGEQN-UHFFFAOYSA-N
XLogP5.71
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol?
The IUPAC name of 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol (CID 16722240) is 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol.
What is the SMILES notation for 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol?
The canonical SMILES for 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol is OC(c1cccnc1-c1cccc(Cl)c1Cl)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol?
The InChIKey is MONUPDKEKDGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c24-19-9-1-7-17(21(19)25)22-18(8-4-12-28-22)23(29)20(15-5-2-10-26-13-15)16-6-3-11-27-14-16/h1-14,20,23,29H.
What are the key properties of 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol?
1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol has a molecular weight of 422.32 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol is sourced from PubChem (CID 16722240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).