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

C19H20ClNO3 — CID 90434212

IUPAC3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1CCCCC1c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c20-17-8-4-3-7-15(17)14-6-2-1-5-13(14)12-24-19-10-21-9-18(23)16(19)11-22/h3-4,7-11,13-14,23H,1-2,5-6,12H2
InChIKeyMGADKDCGWAFNOQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.61
Rot. Bonds5

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

3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde (PubChem CID 90434212) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
PubChem CID90434212
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1CCCCC1c1ccccc1Cl
InChIInChI=1S/C19H20ClNO3/c20-17-8-4-3-7-15(17)14-6-2-1-5-13(14)12-24-19-10-21-9-18(23)16(19)11-22/h3-4,7-11,13-14,23H,1-2,5-6,12H2
InChIKeyMGADKDCGWAFNOQ-UHFFFAOYSA-N
XLogP4.61
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867768
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
CID 90426908
3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90434047
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434268
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine
CID 90426536
3-hydroxy-5-[[2-[2-(3,3,3-trifluoropropyl)-1,5-dihydropyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 145045546
ethane;3-hydroxy-5-[[2-[2-(3,3,3-trifluoropropyl)-1,5-dihydropyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 145045545
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-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434143
3-methoxy-5-[[2-(2-methoxyphenyl)cyclohexyl]methoxy]pyridine
CID 90426351
3-chloro-2-hydroxy-6-[[2-(2-hydroxypropan-2-yl)cyclohexyl]methoxy]benzaldehyde
CID 86275548

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The IUPAC name of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde (CID 90434212) is 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The canonical SMILES for 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde is O=Cc1c(O)cncc1OCC1CCCCC1c1ccccc1Cl.
What is the InChIKey of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The InChIKey is MGADKDCGWAFNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-17-8-4-3-7-15(17)14-6-2-1-5-13(14)12-24-19-10-21-9-18(23)16(19)11-22/h3-4,7-11,13-14,23H,1-2,5-6,12H2.
What are the key properties of 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde has a molecular weight of 345.83 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde is sourced from PubChem (CID 90434212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).