2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole

C17H10Cl2F2N6O — CID 155213047

IUPAC2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(Cl)c4)c3Cl)nc2)o1
InChIInChI=1S/C17H10Cl2F2N6O/c18-11-3-1-2-9(6-11)13-14(19)27(26-23-13)8-12-5-4-10(7-22-12)16-24-25-17(28-16)15(20)21/h1-7,15H,8H2
InChIKeyUJJYJHAXKUBVFE-UHFFFAOYSA-N
MW423.21 g/mol
LogP4.68
Rot. Bonds5

About 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole

2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 155213047) has the molecular formula C17H10Cl2F2N6O and a molecular weight of 423.21 g/mol. Its IUPAC name is 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID155213047
Molecular FormulaC17H10Cl2F2N6O
Molecular Weight423.21 g/mol
Exact Mass422.03
IUPAC Name2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(Cl)c4)c3Cl)nc2)o1
InChIInChI=1S/C17H10Cl2F2N6O/c18-11-3-1-2-9(6-11)13-14(19)27(26-23-13)8-12-5-4-10(7-22-12)16-24-25-17(28-16)15(20)21/h1-7,15H,8H2
InChIKeyUJJYJHAXKUBVFE-UHFFFAOYSA-N
XLogP4.68
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.21
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole (CID 155213047) is 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3nnc(-c4cccc(Cl)c4)c3Cl)nc2)o1.
What is the InChIKey of 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is UJJYJHAXKUBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2N6O/c18-11-3-1-2-9(6-11)13-14(19)27(26-23-13)8-12-5-4-10(7-22-12)16-24-25-17(28-16)15(20)21/h1-7,15H,8H2.
What are the key properties of 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 423.21 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-chloro-4-(3-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 155213047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).