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

C18H12Cl2FNO — CID 56679447

IUPAC(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H12Cl2FNO/c19-14-5-3-12(4-6-14)18(23,13-2-1-9-22-11-13)16-8-7-15(20)10-17(16)21/h1-11,23H
InChIKeyKCGLWIFUYTWECL-UHFFFAOYSA-N
MW348.20 g/mol
LogP4.81
Rot. Bonds3

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

(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol (PubChem CID 56679447) has the molecular formula C18H12Cl2FNO and a molecular weight of 348.20 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
PubChem CID56679447
Molecular FormulaC18H12Cl2FNO
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H12Cl2FNO/c19-14-5-3-12(4-6-14)18(23,13-2-1-9-22-11-13)16-8-7-15(20)10-17(16)21/h1-11,23H
InChIKeyKCGLWIFUYTWECL-UHFFFAOYSA-N
XLogP4.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol (CID 56679447) is (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is KCGLWIFUYTWECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FNO/c19-14-5-3-12(4-6-14)18(23,13-2-1-9-22-11-13)16-8-7-15(20)10-17(16)21/h1-11,23H.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol?
(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 348.20 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56679447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).