5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine

C17H12ClF2N3O — CID 86296160

IUPAC5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine
SMILESFC(F)Oc1ncc(Cc2cncnc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C17H12ClF2N3O/c18-14-3-1-2-13(6-14)15-5-11(4-12-7-21-10-22-8-12)9-23-16(15)24-17(19)20/h1-3,5-10,17H,4H2
InChIKeyVNFMABPNNXZHMR-UHFFFAOYSA-N
MW347.75 g/mol
LogP4.38
Rot. Bonds5

About 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine

5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine (PubChem CID 86296160) has the molecular formula C17H12ClF2N3O and a molecular weight of 347.75 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine.

Molecular Properties

Compound Name5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine
PubChem CID86296160
Molecular FormulaC17H12ClF2N3O
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Name5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine
SMILESFC(F)Oc1ncc(Cc2cncnc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C17H12ClF2N3O/c18-14-3-1-2-13(6-14)15-5-11(4-12-7-21-10-22-8-12)9-23-16(15)24-17(19)20/h1-3,5-10,17H,4H2
InChIKeyVNFMABPNNXZHMR-UHFFFAOYSA-N
XLogP4.38
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine?
The IUPAC name of 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine (CID 86296160) is 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine.
What is the SMILES notation for 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine?
The canonical SMILES for 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine is FC(F)Oc1ncc(Cc2cncnc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine?
The InChIKey is VNFMABPNNXZHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O/c18-14-3-1-2-13(6-14)15-5-11(4-12-7-21-10-22-8-12)9-23-16(15)24-17(19)20/h1-3,5-10,17H,4H2.
What are the key properties of 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine?
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine has a molecular weight of 347.75 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]pyrimidine is sourced from PubChem (CID 86296160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).