(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol

C17H11Cl2FN2O — CID 56672512

IUPAC(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cncnc1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H11Cl2FN2O/c18-13-3-1-11(2-4-13)17(23,12-8-21-10-22-9-12)15-6-5-14(19)7-16(15)20/h1-10,23H
InChIKeyBARDOQOZPQZBAZ-UHFFFAOYSA-N
MW349.19 g/mol
LogP4.21
Rot. Bonds3

About (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol

(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol (PubChem CID 56672512) has the molecular formula C17H11Cl2FN2O and a molecular weight of 349.19 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol
PubChem CID56672512
Molecular FormulaC17H11Cl2FN2O
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cncnc1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H11Cl2FN2O/c18-13-3-1-11(2-4-13)17(23,12-8-21-10-22-9-12)15-6-5-14(19)7-16(15)20/h1-10,23H
InChIKeyBARDOQOZPQZBAZ-UHFFFAOYSA-N
XLogP4.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol (CID 56672512) is (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol is OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol?
The InChIKey is BARDOQOZPQZBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O/c18-13-3-1-11(2-4-13)17(23,12-8-21-10-22-9-12)15-6-5-14(19)7-16(15)20/h1-10,23H.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol?
(4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol has a molecular weight of 349.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 56672512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).