4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine

C36H48BrN7O5 — CID 167700413

IUPAC4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine
SMILESCOC(C)c1cccnc1.COCc1ccc(C)nc1.COCc1ccnnc1.COCc1cncnc1.COCc1nccc(Br)c1C
InChIInChI=1S/C8H10BrNO.2C8H11NO.2C6H8N2O/c1-6-7(9)3-4-10-8(6)5-11-2;1-7-3-4-8(5-9-7)6-10-2;1-7(10-2)8-4-3-5-9-6-8;1-9-4-6-2-7-5-8-3-6;1-9-5-6-2-3-7-8-4-6/h3-4H,5H2,1-2H3;3-5H,6H2,1-2H3;3-7H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3
InChIKeyJNEGBRGXRAEIDT-UHFFFAOYSA-N
MW738.73 g/mol
LogP6.87
Rot. Bonds10

About 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine

4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine (PubChem CID 167700413) has the molecular formula C36H48BrN7O5 and a molecular weight of 738.73 g/mol. Its IUPAC name is 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine
PubChem CID167700413
Molecular FormulaC36H48BrN7O5
Molecular Weight738.73 g/mol
Exact Mass737.29
IUPAC Name4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine
SMILESCOC(C)c1cccnc1.COCc1ccc(C)nc1.COCc1ccnnc1.COCc1cncnc1.COCc1nccc(Br)c1C
InChIInChI=1S/C8H10BrNO.2C8H11NO.2C6H8N2O/c1-6-7(9)3-4-10-8(6)5-11-2;1-7-3-4-8(5-9-7)6-10-2;1-7(10-2)8-4-3-5-9-6-8;1-9-4-6-2-7-5-8-3-6;1-9-5-6-2-3-7-8-4-6/h3-4H,5H2,1-2H3;3-5H,6H2,1-2H3;3-7H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3
InChIKeyJNEGBRGXRAEIDT-UHFFFAOYSA-N
XLogP6.87
TPSA136.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.73
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine?
The IUPAC name of 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine (CID 167700413) is 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine is COC(C)c1cccnc1.COCc1ccc(C)nc1.COCc1ccnnc1.COCc1cncnc1.COCc1nccc(Br)c1C.
What is the InChIKey of 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine?
The InChIKey is JNEGBRGXRAEIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO.2C8H11NO.2C6H8N2O/c1-6-7(9)3-4-10-8(6)5-11-2;1-7-3-4-8(5-9-7)6-10-2;1-7(10-2)8-4-3-5-9-6-8;1-9-4-6-2-7-5-8-3-6;1-9-5-6-2-3-7-8-4-6/h3-4H,5H2,1-2H3;3-5H,6H2,1-2H3;3-7H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3.
What are the key properties of 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine?
4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine has a molecular weight of 738.73 g/mol, XLogP of 6.87, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methoxymethyl)-3-methylpyridine;3-(1-methoxyethyl)pyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine is sourced from PubChem (CID 167700413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).