2,6-dibromo-4-(hexoxymethyl)pyridine

C12H17Br2NO — CID 11002629

IUPAC2,6-dibromo-4-(hexoxymethyl)pyridine
SMILESCCCCCCOCc1cc(Br)nc(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-2-3-4-5-6-16-9-10-7-11(13)15-12(14)8-10/h7-8H,2-6,9H2,1H3
InChIKeyRGGRVDLDUOFTDR-UHFFFAOYSA-N
MW351.08 g/mol
LogP4.70
Rot. Bonds7

About 2,6-dibromo-4-(hexoxymethyl)pyridine

2,6-dibromo-4-(hexoxymethyl)pyridine (PubChem CID 11002629) has the molecular formula C12H17Br2NO and a molecular weight of 351.08 g/mol. Its IUPAC name is 2,6-dibromo-4-(hexoxymethyl)pyridine.

Molecular Properties

Compound Name2,6-dibromo-4-(hexoxymethyl)pyridine
PubChem CID11002629
Molecular FormulaC12H17Br2NO
Molecular Weight351.08 g/mol
Exact Mass348.97
IUPAC Name2,6-dibromo-4-(hexoxymethyl)pyridine
SMILESCCCCCCOCc1cc(Br)nc(Br)c1
InChIInChI=1S/C12H17Br2NO/c1-2-3-4-5-6-16-9-10-7-11(13)15-12(14)8-10/h7-8H,2-6,9H2,1H3
InChIKeyRGGRVDLDUOFTDR-UHFFFAOYSA-N
XLogP4.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(hexoxymethyl)-2,6-diiodopyridine
CID 11525108
1-bromo-3-fluoro-5-(octoxymethyl)benzene
CID 79702505
1-bromo-3-fluoro-5-(heptoxymethyl)benzene
CID 79701684
6,13,27,34-tetrakis(hexoxymethyl)-43,46-diazaheptacyclo[37.3.1.14,8.111,15.118,22.125,29.132,36]octatetraconta-1(43),4(48),5,7,11,13,15(47),18(46),19,21,25(45),26,28,32,34,36(44),39,41-octadecaen-2,9,16,23,30,37-hexayne
CID 56930420
4-(dodecoxymethyl)pyridine
CID 175554630
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
2-(octoxymethyl)naphthalene
CID 101192870
13,22,36,45-tetrakis(hexoxymethyl)-49,52-diazaheptacyclo[41.3.1.14,8.111,15.120,24.127,31.134,38]dopentaconta-1(46),4(52),5,7,11,13,15(51),20(50),21,23,27,29,31(49),34,36,38(48),43(47),44-octadecaen-2,9,16,18,25,32,39,41-octayne
CID 102143864
1-bromo-4-(heptoxymethyl)-2-nitrobenzene
CID 113335357
1-(4-bromophenyl)-3-(hexoxymethyl)-5-(4-iodophenyl)benzene
CID 15890784
azane;hexoxymethylbenzene
CID 174805489

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-(hexoxymethyl)pyridine?
The IUPAC name of 2,6-dibromo-4-(hexoxymethyl)pyridine (CID 11002629) is 2,6-dibromo-4-(hexoxymethyl)pyridine.
What is the SMILES notation for 2,6-dibromo-4-(hexoxymethyl)pyridine?
The canonical SMILES for 2,6-dibromo-4-(hexoxymethyl)pyridine is CCCCCCOCc1cc(Br)nc(Br)c1.
What is the InChIKey of 2,6-dibromo-4-(hexoxymethyl)pyridine?
The InChIKey is RGGRVDLDUOFTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2NO/c1-2-3-4-5-6-16-9-10-7-11(13)15-12(14)8-10/h7-8H,2-6,9H2,1H3.
What are the key properties of 2,6-dibromo-4-(hexoxymethyl)pyridine?
2,6-dibromo-4-(hexoxymethyl)pyridine has a molecular weight of 351.08 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-(hexoxymethyl)pyridine is sourced from PubChem (CID 11002629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).