3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde

C19H21ClN2O3 — CID 90434047

IUPAC3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1ncccc1C1CCCCC1COc1cncc(Cl)c1C=O
InChIInChI=1S/C19H21ClN2O3/c1-24-19-15(7-4-8-22-19)14-6-3-2-5-13(14)12-25-18-10-21-9-17(20)16(18)11-23/h4,7-11,13-14H,2-3,5-6,12H2,1H3
InChIKeyYPILKGSTWJCAED-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.30
Rot. Bonds6

About 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde

3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 90434047) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
PubChem CID90434047
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCOc1ncccc1C1CCCCC1COc1cncc(Cl)c1C=O
InChIInChI=1S/C19H21ClN2O3/c1-24-19-15(7-4-8-22-19)14-6-3-2-5-13(14)12-25-18-10-21-9-17(20)16(18)11-23/h4,7-11,13-14H,2-3,5-6,12H2,1H3
InChIKeyYPILKGSTWJCAED-UHFFFAOYSA-N
XLogP4.30
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434212
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
CID 90426908
2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde
CID 144715609
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methoxypyridine
CID 90426536
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-(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
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde
CID 22607272
5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 90434135
2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273387

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde (CID 90434047) is 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde is COc1ncccc1C1CCCCC1COc1cncc(Cl)c1C=O.
What is the InChIKey of 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is YPILKGSTWJCAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-24-19-15(7-4-8-22-19)14-6-3-2-5-13(14)12-25-18-10-21-9-17(20)16(18)11-23/h4,7-11,13-14H,2-3,5-6,12H2,1H3.
What are the key properties of 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 360.84 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 90434047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).