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

C72H93BrF3N13O10 — CID 167572271

IUPAC4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine
SMILESCOC(C)c1cccnc1.COC(C)c1ccnnc1.COCc1ccc(C)nc1.COCc1ccc(F)nc1.COCc1cccnc1C.COCc1cccnc1F.COCc1ccnnc1.COCc1cncc(F)c1.COCc1cncnc1.COCc1nccc(Br)c1C
InChIInChI=1S/C8H10BrNO.3C8H11NO.3C7H8FNO.C7H10N2O.2C6H8N2O/c1-6-7(9)3-4-10-8(6)5-11-2;1-7-3-4-8(5-9-7)6-10-2;1-7-8(6-10-2)4-3-5-9-7;1-7(10-2)8-4-3-5-9-6-8;1-10-5-6-2-7(8)4-9-3-6;1-10-5-6-2-3-7(8)9-4-6;1-10-5-6-3-2-4-9-7(6)8;1-6(10-2)7-3-4-8-9-5-7;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;2*3-5H,6H2,1-2H3;3-7H,1-2H3;3*2-4H,5H2,1H3;3-6H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3
InChIKeyIAAWAFLBJFFAPA-UHFFFAOYSA-N
MW1437.51 g/mol
LogP13.69
Rot. Bonds20

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

4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine (PubChem CID 167572271) has the molecular formula C72H93BrF3N13O10 and a molecular weight of 1437.51 g/mol. Its IUPAC name is 4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine
PubChem CID167572271
Molecular FormulaC72H93BrF3N13O10
Molecular Weight1437.51 g/mol
Exact Mass1435.63
IUPAC Name4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine
SMILESCOC(C)c1cccnc1.COC(C)c1ccnnc1.COCc1ccc(C)nc1.COCc1ccc(F)nc1.COCc1cccnc1C.COCc1cccnc1F.COCc1ccnnc1.COCc1cncc(F)c1.COCc1cncnc1.COCc1nccc(Br)c1C
InChIInChI=1S/C8H10BrNO.3C8H11NO.3C7H8FNO.C7H10N2O.2C6H8N2O/c1-6-7(9)3-4-10-8(6)5-11-2;1-7-3-4-8(5-9-7)6-10-2;1-7-8(6-10-2)4-3-5-9-7;1-7(10-2)8-4-3-5-9-6-8;1-10-5-6-2-7(8)4-9-3-6;1-10-5-6-2-3-7(8)9-4-6;1-10-5-6-3-2-4-9-7(6)8;1-6(10-2)7-3-4-8-9-5-7;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;2*3-5H,6H2,1-2H3;3-7H,1-2H3;3*2-4H,5H2,1H3;3-6H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3
InChIKeyIAAWAFLBJFFAPA-UHFFFAOYSA-N
XLogP13.69
TPSA259.87 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.51
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine?
The IUPAC name of 4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine (CID 167572271) is 4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine is COC(C)c1cccnc1.COC(C)c1ccnnc1.COCc1ccc(C)nc1.COCc1ccc(F)nc1.COCc1cccnc1C.COCc1cccnc1F.COCc1ccnnc1.COCc1cncc(F)c1.COCc1cncnc1.COCc1nccc(Br)c1C.
What is the InChIKey of 4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine?
The InChIKey is IAAWAFLBJFFAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO.3C8H11NO.3C7H8FNO.C7H10N2O.2C6H8N2O/c1-6-7(9)3-4-10-8(6)5-11-2;1-7-3-4-8(5-9-7)6-10-2;1-7-8(6-10-2)4-3-5-9-7;1-7(10-2)8-4-3-5-9-6-8;1-10-5-6-2-7(8)4-9-3-6;1-10-5-6-2-3-7(8)9-4-6;1-10-5-6-3-2-4-9-7(6)8;1-6(10-2)7-3-4-8-9-5-7;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;2*3-5H,6H2,1-2H3;3-7H,1-2H3;3*2-4H,5H2,1H3;3-6H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3.
What are the key properties of 4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine?
4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine has a molecular weight of 1437.51 g/mol, XLogP of 13.69, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(methoxymethyl)-3-methylpyridine;2-fluoro-3-(methoxymethyl)pyridine;2-fluoro-5-(methoxymethyl)pyridine;3-fluoro-5-(methoxymethyl)pyridine;4-(1-methoxyethyl)pyridazine;3-(1-methoxyethyl)pyridine;3-(methoxymethyl)-2-methylpyridine;5-(methoxymethyl)-2-methylpyridine;4-(methoxymethyl)pyridazine;5-(methoxymethyl)pyrimidine is sourced from PubChem (CID 167572271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).