5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate

C82H88Br4FN13O13S — CID 165002531

IUPAC5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate
SMILESCOC(C)c1c(N)cnc(C)c1Br.COc1ncc(CC(=O)Cc2cnc(C)c(Br)c2C(C)OC)cc1C#N.COc1ncc(CC(=O)Cc2cnc(C)c(Br)c2[C@@H](C)OC)cc1C#N.COc1ncc(CC(=O)Cc2cnc(C)c(Br)c2[C@H](C)OC)cc1C#N.COc1ncc(CC(=O)Oc2ccccc2)cc1C#N.CSF
InChIInChI=1S/3C19H20BrN3O3.C15H12N2O3.C9H13BrN2O.CH3FS/c3*1-11-18(20)17(12(2)25-3)15(10-22-11)7-16(24)6-13-5-14(8-21)19(26-4)23-9-13;1-19-15-12(9-16)7-11(10-17-15)8-14(18)20-13-5-3-2-4-6-13;1-5-9(10)8(6(2)13-3)7(11)4-12-5;1-3-2/h3*5,9-10,12H,6-7H2,1-4H3;2-7,10H,8H2,1H3;4,6H,11H2,1-3H3;1H3/t2*12-;;;;/m10..../s1
InChIKeyILTDJDZKHUWEOH-DOFCAIOBSA-N
MW1834.36 g/mol
LogP16.25
Rot. Bonds27

About 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate

5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate (PubChem CID 165002531) has the molecular formula C82H88Br4FN13O13S and a molecular weight of 1834.36 g/mol. Its IUPAC name is 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate.

Molecular Properties

Compound Name5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate
PubChem CID165002531
Molecular FormulaC82H88Br4FN13O13S
Molecular Weight1834.36 g/mol
Exact Mass1829.31
IUPAC Name5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate
SMILESCOC(C)c1c(N)cnc(C)c1Br.COc1ncc(CC(=O)Cc2cnc(C)c(Br)c2C(C)OC)cc1C#N.COc1ncc(CC(=O)Cc2cnc(C)c(Br)c2[C@@H](C)OC)cc1C#N.COc1ncc(CC(=O)Cc2cnc(C)c(Br)c2[C@H](C)OC)cc1C#N.COc1ncc(CC(=O)Oc2ccccc2)cc1C#N.CSF
InChIInChI=1S/3C19H20BrN3O3.C15H12N2O3.C9H13BrN2O.CH3FS/c3*1-11-18(20)17(12(2)25-3)15(10-22-11)7-16(24)6-13-5-14(8-21)19(26-4)23-9-13;1-19-15-12(9-16)7-11(10-17-15)8-14(18)20-13-5-3-2-4-6-13;1-5-9(10)8(6(2)13-3)7(11)4-12-5;1-3-2/h3*5,9-10,12H,6-7H2,1-4H3;2-7,10H,8H2,1H3;4,6H,11H2,1-3H3;1H3/t2*12-;;;;/m10..../s1
InChIKeyILTDJDZKHUWEOH-DOFCAIOBSA-N
XLogP16.25
TPSA375.65 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001834.36
LogP ≤ 516.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate?
The IUPAC name of 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate (CID 165002531) is 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate.
What is the SMILES notation for 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate?
The canonical SMILES for 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate is COC(C)c1c(N)cnc(C)c1Br.COc1ncc(CC(=O)Cc2cnc(C)c(Br)c2C(C)OC)cc1C#N.COc1ncc(CC(=O)Cc2cnc(C)c(Br)c2[C@@H](C)OC)cc1C#N.COc1ncc(CC(=O)Cc2cnc(C)c(Br)c2[C@H](C)OC)cc1C#N.COc1ncc(CC(=O)Oc2ccccc2)cc1C#N.CSF.
What is the InChIKey of 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate?
The InChIKey is ILTDJDZKHUWEOH-DOFCAIOBSA-N. The full InChI is InChI=1S/3C19H20BrN3O3.C15H12N2O3.C9H13BrN2O.CH3FS/c3*1-11-18(20)17(12(2)25-3)15(10-22-11)7-16(24)6-13-5-14(8-21)19(26-4)23-9-13;1-19-15-12(9-16)7-11(10-17-15)8-14(18)20-13-5-3-2-4-6-13;1-5-9(10)8(6(2)13-3)7(11)4-12-5;1-3-2/h3*5,9-10,12H,6-7H2,1-4H3;2-7,10H,8H2,1H3;4,6H,11H2,1-3H3;1H3/t2*12-;;;;/m10..../s1.
What are the key properties of 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate?
5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate has a molecular weight of 1834.36 g/mol, XLogP of 16.25, 27 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-methoxyethyl)-6-methylpyridin-3-amine;5-[3-[5-bromo-4-[(1S)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-[(1R)-1-methoxyethyl]-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;5-[3-[5-bromo-4-(1-methoxyethyl)-6-methyl-3-pyridinyl]-2-oxopropyl]-2-methoxypyridine-3-carbonitrile;methyl thiohypofluorite;phenyl 2-(5-cyano-6-methoxy-3-pyridinyl)acetate is sourced from PubChem (CID 165002531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).