3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde

C15H21NO2 — CID 79157029

IUPAC3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde
SMILESCCC1CCCC(Oc2ccc(C)nc2C=O)C1
InChIInChI=1S/C15H21NO2/c1-3-12-5-4-6-13(9-12)18-15-8-7-11(2)16-14(15)10-17/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeySJMFNKQDPGQYCX-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.55
Rot. Bonds4

About 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde

3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde (PubChem CID 79157029) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde
PubChem CID79157029
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde
SMILESCCC1CCCC(Oc2ccc(C)nc2C=O)C1
InChIInChI=1S/C15H21NO2/c1-3-12-5-4-6-13(9-12)18-15-8-7-11(2)16-14(15)10-17/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeySJMFNKQDPGQYCX-UHFFFAOYSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-cycloheptyloxy-6-methyl-2-pyridinyl)prop-2-enoic acid
CID 82929379
3-(3-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enoic acid
CID 79169558
6-methyl-3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-2-carbaldehyde
CID 79905683
6-methyl-3-(6-oxaspiro[4.5]decan-9-yloxy)pyridine-2-carbaldehyde
CID 79905824
2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde
CID 112610922
N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79150743
4-(3-ethylcyclohexyl)oxy-6-methylpyridine-3-carboxylic acid
CID 81226169
1-chloro-2-(3-ethylcyclohexyl)oxybenzene
CID 64763442
3-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 82827360
3-(4-hydroxy-1,1-dioxothiolan-3-yl)oxy-6-methylpyridine-2-carbaldehyde
CID 79156842
[4-(3-ethylcyclohexyl)oxy-6-methyl-3-pyridinyl]methanamine
CID 81250323
5-(chloromethyl)-4-(3-ethylcyclohexyl)oxy-2-methylpyridine
CID 81233966

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde (CID 79157029) is 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde is CCC1CCCC(Oc2ccc(C)nc2C=O)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde?
The InChIKey is SJMFNKQDPGQYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12-5-4-6-13(9-12)18-15-8-7-11(2)16-14(15)10-17/h7-8,10,12-13H,3-6,9H2,1-2H3.
What are the key properties of 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde?
3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde has a molecular weight of 247.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)oxy-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 79157029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).