bis(4-chlorophenyl)-pyridin-3-ylmethanol

C18H13Cl2NO — CID 28768

IUPACbis(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C18H13Cl2NO/c19-16-7-3-13(4-8-16)18(22,15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,22H
InChIKeyNBNTWDUNCHRWMT-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.67
Rot. Bonds3

About bis(4-chlorophenyl)-pyridin-3-ylmethanol

bis(4-chlorophenyl)-pyridin-3-ylmethanol (PubChem CID 28768) has the molecular formula C18H13Cl2NO and a molecular weight of 330.21 g/mol. Its IUPAC name is bis(4-chlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Namebis(4-chlorophenyl)-pyridin-3-ylmethanol
PubChem CID28768
Molecular FormulaC18H13Cl2NO
Molecular Weight330.21 g/mol
Exact Mass329.04
IUPAC Namebis(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C18H13Cl2NO/c19-16-7-3-13(4-8-16)18(22,15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,22H
InChIKeyNBNTWDUNCHRWMT-UHFFFAOYSA-N
XLogP4.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(4-chlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of bis(4-chlorophenyl)-pyridin-3-ylmethanol (CID 28768) is bis(4-chlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for bis(4-chlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for bis(4-chlorophenyl)-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of bis(4-chlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is NBNTWDUNCHRWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO/c19-16-7-3-13(4-8-16)18(22,15-2-1-11-21-12-15)14-5-9-17(20)10-6-14/h1-12,22H.
What are the key properties of bis(4-chlorophenyl)-pyridin-3-ylmethanol?
bis(4-chlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 330.21 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 28768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).