5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine

C18H14ClF2N3O2 — CID 86296758

IUPAC5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
SMILESCOc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C18H14ClF2N3O2/c1-25-18-23-9-12(10-24-18)5-11-6-15(13-3-2-4-14(19)7-13)16(22-8-11)26-17(20)21/h2-4,6-10,17H,5H2,1H3
InChIKeyRXNORFHBZQAQJS-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.39
Rot. Bonds6

About 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine

5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine (PubChem CID 86296758) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine.

Molecular Properties

Compound Name5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
PubChem CID86296758
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC Name5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
SMILESCOc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C18H14ClF2N3O2/c1-25-18-23-9-12(10-24-18)5-11-6-15(13-3-2-4-14(19)7-13)16(22-8-11)26-17(20)21/h2-4,6-10,17H,5H2,1H3
InChIKeyRXNORFHBZQAQJS-UHFFFAOYSA-N
XLogP4.39
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine?
The IUPAC name of 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine (CID 86296758) is 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine.
What is the SMILES notation for 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine?
The canonical SMILES for 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine is COc1ncc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1.
What is the InChIKey of 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine?
The InChIKey is RXNORFHBZQAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/c1-25-18-23-9-12(10-24-18)5-11-6-15(13-3-2-4-14(19)7-13)16(22-8-11)26-17(20)21/h2-4,6-10,17H,5H2,1H3.
What are the key properties of 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine?
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine has a molecular weight of 377.78 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine is sourced from PubChem (CID 86296758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).