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

C18H11Cl2F2NO — CID 56682755

IUPACbis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)(c1ccc(Cl)cc1F)c1ccc(Cl)cc1F
InChIInChI=1S/C18H11Cl2F2NO/c19-12-3-5-14(16(21)8-12)18(24,11-2-1-7-23-10-11)15-6-4-13(20)9-17(15)22/h1-10,24H
InChIKeyVXXKOTRIYLRDOA-UHFFFAOYSA-N
MW366.19 g/mol
LogP4.95
Rot. Bonds3

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

bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol (PubChem CID 56682755) has the molecular formula C18H11Cl2F2NO and a molecular weight of 366.19 g/mol. Its IUPAC name is bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Namebis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol
PubChem CID56682755
Molecular FormulaC18H11Cl2F2NO
Molecular Weight366.19 g/mol
Exact Mass365.02
IUPAC Namebis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)(c1ccc(Cl)cc1F)c1ccc(Cl)cc1F
InChIInChI=1S/C18H11Cl2F2NO/c19-12-3-5-14(16(21)8-12)18(24,11-2-1-7-23-10-11)15-6-4-13(20)9-17(15)22/h1-10,24H
InChIKeyVXXKOTRIYLRDOA-UHFFFAOYSA-N
XLogP4.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol (CID 56682755) is bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol is OC(c1cccnc1)(c1ccc(Cl)cc1F)c1ccc(Cl)cc1F.
What is the InChIKey of bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol?
The InChIKey is VXXKOTRIYLRDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F2NO/c19-12-3-5-14(16(21)8-12)18(24,11-2-1-7-23-10-11)15-6-4-13(20)9-17(15)22/h1-10,24H.
What are the key properties of bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol?
bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol has a molecular weight of 366.19 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56682755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).