3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde

C20H22ClNO2 — CID 118867768

IUPAC3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
SMILESCc1cncc(OCC2CCCCC2c2ccccc2Cl)c1C=O
InChIInChI=1S/C20H22ClNO2/c1-14-10-22-11-20(18(14)12-23)24-13-15-6-2-3-7-16(15)17-8-4-5-9-19(17)21/h4-5,8-12,15-16H,2-3,6-7,13H2,1H3
InChIKeyDXHCTJVZRLEOBU-UHFFFAOYSA-N
MW343.85 g/mol
LogP5.21
Rot. Bonds5

About 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde

3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde (PubChem CID 118867768) has the molecular formula C20H22ClNO2 and a molecular weight of 343.85 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
PubChem CID118867768
Molecular FormulaC20H22ClNO2
Molecular Weight343.85 g/mol
Exact Mass343.13
IUPAC Name3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
SMILESCc1cncc(OCC2CCCCC2c2ccccc2Cl)c1C=O
InChIInChI=1S/C20H22ClNO2/c1-14-10-22-11-20(18(14)12-23)24-13-15-6-2-3-7-16(15)17-8-4-5-9-19(17)21/h4-5,8-12,15-16H,2-3,6-7,13H2,1H3
InChIKeyDXHCTJVZRLEOBU-UHFFFAOYSA-N
XLogP5.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.85
LogP ≤ 55.21
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

3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434212
3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90434047
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867836
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine
CID 90426536
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
CID 90426908
3-chloro-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90434163
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434268
3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine
CID 90426351
N-[[2-(2-chlorophenyl)cycloheptyl]methyl]propan-1-amine
CID 81026699
N-[[2-(2-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81023958
2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde
CID 90434189

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde?
The IUPAC name of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde (CID 118867768) is 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde?
The canonical SMILES for 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde is Cc1cncc(OCC2CCCCC2c2ccccc2Cl)c1C=O.
What is the InChIKey of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde?
The InChIKey is DXHCTJVZRLEOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO2/c1-14-10-22-11-20(18(14)12-23)24-13-15-6-2-3-7-16(15)17-8-4-5-9-19(17)21/h4-5,8-12,15-16H,2-3,6-7,13H2,1H3.
What are the key properties of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde?
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde has a molecular weight of 343.85 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 118867768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).