N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane

C41H32BBr3Cl4F4N10O10 — CID 159478612

IUPACN-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane
SMILESBrB(Br)Br.COc1cnc(Oc2c(Cl)cc(-n3nc(C(F)F)c(=O)[nH]c3=O)cc2Cl)cc1C(=O)NC1CCC1.O=C(NC1CCC1)c1cc(Oc2c(Cl)cc(-n3nc(C(F)F)c(=O)[nH]c3=O)cc2Cl)ncc1O
InChIInChI=1S/C21H17Cl2F2N5O5.C20H15Cl2F2N5O5.BBr3/c1-34-14-8-26-15(7-11(14)19(31)27-9-3-2-4-9)35-17-12(22)5-10(6-13(17)23)30-21(33)28-20(32)16(29-30)18(24)25;21-11-4-9(29-20(33)27-19(32)15(28-29)17(23)24)5-12(22)16(11)34-14-6-10(13(30)7-25-14)18(31)26-8-2-1-3-8;2-1(3)4/h5-9,18H,2-4H2,1H3,(H,27,31)(H,28,32,33);4-8,17,30H,1-3H2,(H,26,31)(H,27,32,33);
InChIKeyLWRZLGZNAAUGEM-UHFFFAOYSA-N
MW1293.09 g/mol
LogP9.14
Rot. Bonds13

About N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane

N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane (PubChem CID 159478612) has the molecular formula C41H32BBr3Cl4F4N10O10 and a molecular weight of 1293.09 g/mol. Its IUPAC name is N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane.

Molecular Properties

Compound NameN-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane
PubChem CID159478612
Molecular FormulaC41H32BBr3Cl4F4N10O10
Molecular Weight1293.09 g/mol
Exact Mass1287.86
IUPAC NameN-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane
SMILESBrB(Br)Br.COc1cnc(Oc2c(Cl)cc(-n3nc(C(F)F)c(=O)[nH]c3=O)cc2Cl)cc1C(=O)NC1CCC1.O=C(NC1CCC1)c1cc(Oc2c(Cl)cc(-n3nc(C(F)F)c(=O)[nH]c3=O)cc2Cl)ncc1O
InChIInChI=1S/C21H17Cl2F2N5O5.C20H15Cl2F2N5O5.BBr3/c1-34-14-8-26-15(7-11(14)19(31)27-9-3-2-4-9)35-17-12(22)5-10(6-13(17)23)30-21(33)28-20(32)16(29-30)18(24)25;21-11-4-9(29-20(33)27-19(32)15(28-29)17(23)24)5-12(22)16(11)34-14-6-10(13(30)7-25-14)18(31)26-8-2-1-3-8;2-1(3)4/h5-9,18H,2-4H2,1H3,(H,27,31)(H,28,32,33);4-8,17,30H,1-3H2,(H,26,31)(H,27,32,33);
InChIKeyLWRZLGZNAAUGEM-UHFFFAOYSA-N
XLogP9.14
TPSA267.40 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.09
LogP ≤ 59.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane?
The IUPAC name of N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane (CID 159478612) is N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane.
What is the SMILES notation for N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane?
The canonical SMILES for N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane is BrB(Br)Br.COc1cnc(Oc2c(Cl)cc(-n3nc(C(F)F)c(=O)[nH]c3=O)cc2Cl)cc1C(=O)NC1CCC1.O=C(NC1CCC1)c1cc(Oc2c(Cl)cc(-n3nc(C(F)F)c(=O)[nH]c3=O)cc2Cl)ncc1O.
What is the InChIKey of N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane?
The InChIKey is LWRZLGZNAAUGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F2N5O5.C20H15Cl2F2N5O5.BBr3/c1-34-14-8-26-15(7-11(14)19(31)27-9-3-2-4-9)35-17-12(22)5-10(6-13(17)23)30-21(33)28-20(32)16(29-30)18(24)25;21-11-4-9(29-20(33)27-19(32)15(28-29)17(23)24)5-12(22)16(11)34-14-6-10(13(30)7-25-14)18(31)26-8-2-1-3-8;2-1(3)4/h5-9,18H,2-4H2,1H3,(H,27,31)(H,28,32,33);4-8,17,30H,1-3H2,(H,26,31)(H,27,32,33);.
What are the key properties of N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane?
N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane has a molecular weight of 1293.09 g/mol, XLogP of 9.14, 13 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-hydroxypyridine-4-carboxamide;N-cyclobutyl-2-[2,6-dichloro-4-[6-(difluoromethyl)-3,5-dioxo-1,2,4-triazin-2-yl]phenoxy]-5-methoxypyridine-4-carboxamide;tribromoborane is sourced from PubChem (CID 159478612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).