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

C18H13Cl2NO — CID 18960776

IUPAC(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C18H13Cl2NO/c19-15-9-7-13(8-10-15)18(22,14-4-3-11-21-12-14)16-5-1-2-6-17(16)20/h1-12,22H
InChIKeyAKDCDVNDPAZRSM-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.67
Rot. Bonds3

About (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol

(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol (PubChem CID 18960776) has the molecular formula C18H13Cl2NO and a molecular weight of 330.21 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
PubChem CID18960776
Molecular FormulaC18H13Cl2NO
Molecular Weight330.21 g/mol
Exact Mass329.04
IUPAC Name(2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C18H13Cl2NO/c19-15-9-7-13(8-10-15)18(22,14-4-3-11-21-12-14)16-5-1-2-6-17(16)20/h1-12,22H
InChIKeyAKDCDVNDPAZRSM-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 (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol (CID 18960776) is (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is AKDCDVNDPAZRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO/c19-15-9-7-13(8-10-15)18(22,14-4-3-11-21-12-14)16-5-1-2-6-17(16)20/h1-12,22H.
What are the key properties of (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
(2-chlorophenyl)-(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 (2-chlorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 18960776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).