2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine

C10H14BrNO — CID 68794198

IUPAC2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine
SMILESCCc1cnc(CBr)c(C)c1OC
InChIInChI=1S/C10H14BrNO/c1-4-8-6-12-9(5-11)7(2)10(8)13-3/h6H,4-5H2,1-3H3
InChIKeySNMKURORLCEGHO-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.86
Rot. Bonds3

About 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine

2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine (PubChem CID 68794198) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine
PubChem CID68794198
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine
SMILESCCc1cnc(CBr)c(C)c1OC
InChIInChI=1S/C10H14BrNO/c1-4-8-6-12-9(5-11)7(2)10(8)13-3/h6H,4-5H2,1-3H3
InChIKeySNMKURORLCEGHO-UHFFFAOYSA-N
XLogP2.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113320
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
(4,5-dimethoxy-3-methyl-2-pyridinyl)methanethiol
CID 174259163
2-[6-(bromomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134682332
1-(2,5-dibromophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968302
3-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylhexan-2-one
CID 116557113
2-[2-(bromomethyl)-2-ethylhexyl]-4-methoxy-3,5-dimethylpyridine
CID 66050676
5-ethyl-4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine
CID 142181984
6-bromo-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-3-one
CID 106798917
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-4-methoxy-3,5-dimethylpyridine
CID 115956836
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine?
The IUPAC name of 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine (CID 68794198) is 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine is CCc1cnc(CBr)c(C)c1OC.
What is the InChIKey of 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine?
The InChIKey is SNMKURORLCEGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-4-8-6-12-9(5-11)7(2)10(8)13-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine?
2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine has a molecular weight of 244.13 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-ethyl-4-methoxy-3-methylpyridine is sourced from PubChem (CID 68794198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).