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

C23H18ClN3O — CID 16722242

IUPAC1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
SMILESOC(c1cccnc1-c1ccccc1Cl)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H18ClN3O/c24-20-10-2-1-8-18(20)22-19(9-5-13-27-22)23(28)21(16-6-3-11-25-14-16)17-7-4-12-26-15-17/h1-15,21,23,28H
InChIKeyXSJFHFJEAPYHDH-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.06
Rot. Bonds5

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

1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol (PubChem CID 16722242) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
PubChem CID16722242
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol
SMILESOC(c1cccnc1-c1ccccc1Cl)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H18ClN3O/c24-20-10-2-1-8-18(20)22-19(9-5-13-27-22)23(28)21(16-6-3-11-25-14-16)17-7-4-12-26-15-17/h1-15,21,23,28H
InChIKeyXSJFHFJEAPYHDH-UHFFFAOYSA-N
XLogP5.06
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol?
The IUPAC name of 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol (CID 16722242) is 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol?
The canonical SMILES for 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol is OC(c1cccnc1-c1ccccc1Cl)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol?
The InChIKey is XSJFHFJEAPYHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-20-10-2-1-8-18(20)22-19(9-5-13-27-22)23(28)21(16-6-3-11-25-14-16)17-7-4-12-26-15-17/h1-15,21,23,28H.
What are the key properties of 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol?
1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol has a molecular weight of 387.87 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-3-pyridinyl]-2,2-dipyridin-3-ylethanol is sourced from PubChem (CID 16722242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).