(4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol

C16H11Cl2N3O — CID 56682512

IUPAC(4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cnc(Cl)nc1
InChIInChI=1S/C16H11Cl2N3O/c17-14-5-3-11(4-6-14)16(22,12-2-1-7-19-8-12)13-9-20-15(18)21-10-13/h1-10,22H
InChIKeyOPXHZJHXWFYQPT-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.46
Rot. Bonds3

About (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol

(4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol (PubChem CID 56682512) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol
PubChem CID56682512
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name(4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cnc(Cl)nc1
InChIInChI=1S/C16H11Cl2N3O/c17-14-5-3-11(4-6-14)16(22,12-2-1-7-19-8-12)13-9-20-15(18)21-10-13/h1-10,22H
InChIKeyOPXHZJHXWFYQPT-UHFFFAOYSA-N
XLogP3.46
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol (CID 56682512) is (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1cnc(Cl)nc1.
What is the InChIKey of (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol?
The InChIKey is OPXHZJHXWFYQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-14-5-3-11(4-6-14)16(22,12-2-1-7-19-8-12)13-9-20-15(18)21-10-13/h1-10,22H.
What are the key properties of (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol?
(4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol has a molecular weight of 332.19 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-chloropyrimidin-5-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56682512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).