2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol

C37H30Cl2N2O — CID 163594818

IUPAC2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol
SMILESCC(c1ccccc1)(c1cccc(Cl)c1)c1ccccn1.OC(c1ccccc1)(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C19H16ClN.C18H14ClNO/c1-19(15-8-3-2-4-9-15,18-12-5-6-13-21-18)16-10-7-11-17(20)14-16;19-16-10-6-9-15(13-16)18(21,14-7-2-1-3-8-14)17-11-4-5-12-20-17/h2-14H,1H3;1-13,21H
InChIKeyGSNQUUQPHJAFPZ-UHFFFAOYSA-N
MW589.57 g/mol
LogP9.11
Rot. Bonds6

About 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol

2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol (PubChem CID 163594818) has the molecular formula C37H30Cl2N2O and a molecular weight of 589.57 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol
PubChem CID163594818
Molecular FormulaC37H30Cl2N2O
Molecular Weight589.57 g/mol
Exact Mass588.17
IUPAC Name2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol
SMILESCC(c1ccccc1)(c1cccc(Cl)c1)c1ccccn1.OC(c1ccccc1)(c1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C19H16ClN.C18H14ClNO/c1-19(15-8-3-2-4-9-15,18-12-5-6-13-21-18)16-10-7-11-17(20)14-16;19-16-10-6-9-15(13-16)18(21,14-7-2-1-3-8-14)17-11-4-5-12-20-17/h2-14H,1H3;1-13,21H
InChIKeyGSNQUUQPHJAFPZ-UHFFFAOYSA-N
XLogP9.11
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.57
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol?
The IUPAC name of 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol (CID 163594818) is 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol?
The canonical SMILES for 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol is CC(c1ccccc1)(c1cccc(Cl)c1)c1ccccn1.OC(c1ccccc1)(c1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol?
The InChIKey is GSNQUUQPHJAFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN.C18H14ClNO/c1-19(15-8-3-2-4-9-15,18-12-5-6-13-21-18)16-10-7-11-17(20)14-16;19-16-10-6-9-15(13-16)18(21,14-7-2-1-3-8-14)17-11-4-5-12-20-17/h2-14H,1H3;1-13,21H.
What are the key properties of 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol?
2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol has a molecular weight of 589.57 g/mol, XLogP of 9.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol is sourced from PubChem (CID 163594818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).