(4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol

C19H16ClF2N3O2 — CID 56672768

IUPAC(4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cnc(OC(CF)CF)nc1
InChIInChI=1S/C19H16ClF2N3O2/c20-16-5-3-13(4-6-16)19(26,14-2-1-7-23-10-14)15-11-24-18(25-12-15)27-17(8-21)9-22/h1-7,10-12,17,26H,8-9H2
InChIKeyVKWHIRFDAWKIEO-UHFFFAOYSA-N
MW391.81 g/mol
LogP3.50
Rot. Bonds7

About (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol

(4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol (PubChem CID 56672768) has the molecular formula C19H16ClF2N3O2 and a molecular weight of 391.81 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol
PubChem CID56672768
Molecular FormulaC19H16ClF2N3O2
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC Name(4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cnc(OC(CF)CF)nc1
InChIInChI=1S/C19H16ClF2N3O2/c20-16-5-3-13(4-6-16)19(26,14-2-1-7-23-10-14)15-11-24-18(25-12-15)27-17(8-21)9-22/h1-7,10-12,17,26H,8-9H2
InChIKeyVKWHIRFDAWKIEO-UHFFFAOYSA-N
XLogP3.50
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol (CID 56672768) is (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1cnc(OC(CF)CF)nc1.
What is the InChIKey of (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol?
The InChIKey is VKWHIRFDAWKIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O2/c20-16-5-3-13(4-6-16)19(26,14-2-1-7-23-10-14)15-11-24-18(25-12-15)27-17(8-21)9-22/h1-7,10-12,17,26H,8-9H2.
What are the key properties of (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol?
(4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol has a molecular weight of 391.81 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(1,3-difluoropropan-2-yloxy)pyrimidin-5-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 56672768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).