4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol

C85H61Cl7F2N26O7S — CID 160718466

IUPAC4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol
SMILESCc1nnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)o1.Cc1nnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)s1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ccc(F)cc2)n1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2cccc(F)c2)n1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2Cl)n1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2nn[nH]n2)n1
InChIInChI=1S/C16H11Cl2N3O.2C16H11ClFN3O.C13H10ClN5O2.C13H10ClN5OS.C11H8ClN7O/c17-11-4-2-1-3-10(11)16-15(20-8-14(19)21-16)9-5-6-13(22)12(18)7-9;17-12-7-10(3-6-13(12)22)15-16(21-14(19)8-20-15)9-1-4-11(18)5-2-9;17-12-7-10(4-5-13(12)22)15-16(21-14(19)8-20-15)9-2-1-3-11(18)6-9;2*1-6-18-19-13(21-6)12-11(16-5-10(15)17-12)7-2-3-9(20)8(14)4-7;12-6-3-5(1-2-7(6)20)9-10(11-16-18-19-17-11)15-8(13)4-14-9/h3*1-8,22H,(H2,19,21);2*2-5,20H,1H3,(H2,15,17);1-4,20H,(H2,13,15)(H,16,17,18,19)
InChIKeyRSTYVJHNOMAAQV-UHFFFAOYSA-N
MW1876.83 g/mol
LogP18.81
Rot. Bonds12

About 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol

4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol (PubChem CID 160718466) has the molecular formula C85H61Cl7F2N26O7S and a molecular weight of 1876.83 g/mol. Its IUPAC name is 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol.

Molecular Properties

Compound Name4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol
PubChem CID160718466
Molecular FormulaC85H61Cl7F2N26O7S
Molecular Weight1876.83 g/mol
Exact Mass1872.27
IUPAC Name4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol
SMILESCc1nnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)o1.Cc1nnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)s1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ccc(F)cc2)n1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2cccc(F)c2)n1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2Cl)n1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2nn[nH]n2)n1
InChIInChI=1S/C16H11Cl2N3O.2C16H11ClFN3O.C13H10ClN5O2.C13H10ClN5OS.C11H8ClN7O/c17-11-4-2-1-3-10(11)16-15(20-8-14(19)21-16)9-5-6-13(22)12(18)7-9;17-12-7-10(3-6-13(12)22)15-16(21-14(19)8-20-15)9-1-4-11(18)5-2-9;17-12-7-10(4-5-13(12)22)15-16(21-14(19)8-20-15)9-2-1-3-11(18)6-9;2*1-6-18-19-13(21-6)12-11(16-5-10(15)17-12)7-2-3-9(20)8(14)4-7;12-6-3-5(1-2-7(6)20)9-10(11-16-18-19-17-11)15-8(13)4-14-9/h3*1-8,22H,(H2,19,21);2*2-5,20H,1H3,(H2,15,17);1-4,20H,(H2,13,15)(H,16,17,18,19)
InChIKeyRSTYVJHNOMAAQV-UHFFFAOYSA-N
XLogP18.81
TPSA551.34 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds12
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001876.83
LogP ≤ 518.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Analyze 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol with MolForge

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Related Compounds

4-[5-amino-3-(2,4-dimethyl-1,3-oxazol-5-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(1,4-dimethylpyrazol-5-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4,5-dimethyl-2H-pyrrol-3-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2-methylpyrazol-3-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-pyrrol-3-yl)pyrazin-2-yl]-2-chlorophenol
CID 159099311
4-[5-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(1-methyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(1H-1,2,4-triazol-5-yl)pyrazin-2-yl]-2-chlorophenol
CID 160862307

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol?
The IUPAC name of 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol (CID 160718466) is 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol.
What is the SMILES notation for 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol?
The canonical SMILES for 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol is Cc1nnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)o1.Cc1nnc(-c2nc(N)cnc2-c2ccc(O)c(Cl)c2)s1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ccc(F)cc2)n1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2cccc(F)c2)n1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2ccccc2Cl)n1.Nc1cnc(-c2ccc(O)c(Cl)c2)c(-c2nn[nH]n2)n1.
What is the InChIKey of 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol?
The InChIKey is RSTYVJHNOMAAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O.2C16H11ClFN3O.C13H10ClN5O2.C13H10ClN5OS.C11H8ClN7O/c17-11-4-2-1-3-10(11)16-15(20-8-14(19)21-16)9-5-6-13(22)12(18)7-9;17-12-7-10(3-6-13(12)22)15-16(21-14(19)8-20-15)9-1-4-11(18)5-2-9;17-12-7-10(4-5-13(12)22)15-16(21-14(19)8-20-15)9-2-1-3-11(18)6-9;2*1-6-18-19-13(21-6)12-11(16-5-10(15)17-12)7-2-3-9(20)8(14)4-7;12-6-3-5(1-2-7(6)20)9-10(11-16-18-19-17-11)15-8(13)4-14-9/h3*1-8,22H,(H2,19,21);2*2-5,20H,1H3,(H2,15,17);1-4,20H,(H2,13,15)(H,16,17,18,19).
What are the key properties of 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol?
4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol has a molecular weight of 1876.83 g/mol, XLogP of 18.81, 12 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(2-chlorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(3-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(4-fluorophenyl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]-2-chlorophenol;4-[5-amino-3-(2H-tetrazol-5-yl)pyrazin-2-yl]-2-chlorophenol is sourced from PubChem (CID 160718466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).