2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine

C14H20BrNO — CID 79799943

IUPAC2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ccc(CBr)nc2)CC1C
InChIInChI=1S/C14H20BrNO/c1-10-3-5-13(7-11(10)2)17-14-6-4-12(8-15)16-9-14/h4,6,9-11,13H,3,5,7-8H2,1-2H3
InChIKeyHKLRKDILEVSWQQ-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.18
Rot. Bonds3

About 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine

2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine (PubChem CID 79799943) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine
PubChem CID79799943
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine
SMILESCC1CCC(Oc2ccc(CBr)nc2)CC1C
InChIInChI=1S/C14H20BrNO/c1-10-3-5-13(7-11(10)2)17-14-6-4-12(8-15)16-9-14/h4,6,9-11,13H,3,5,7-8H2,1-2H3
InChIKeyHKLRKDILEVSWQQ-UHFFFAOYSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.18
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

N-[[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 79781294
(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 83123467
2-(chloromethyl)-5-cyclopropyloxypyridine
CID 130562964
5-cyclopentyloxy-2-ethylpyridine
CID 143839815
2-(bromomethyl)-5-(6-oxaspiro[4.5]decan-9-yloxy)pyridine
CID 79894085
N-methyl-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79776751
[2-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methanamine
CID 107275256
[5-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79788126
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
2-(bromomethyl)-5-(ethoxymethoxy)pyridine
CID 79800750
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine?
The IUPAC name of 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine (CID 79799943) is 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine.
What is the SMILES notation for 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine?
The canonical SMILES for 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine is CC1CCC(Oc2ccc(CBr)nc2)CC1C.
What is the InChIKey of 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine?
The InChIKey is HKLRKDILEVSWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-3-5-13(7-11(10)2)17-14-6-4-12(8-15)16-9-14/h4,6,9-11,13H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine?
2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine has a molecular weight of 298.22 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(3,4-dimethylcyclohexyl)oxypyridine is sourced from PubChem (CID 79799943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).