3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde

C18H17ClN2O3 — CID 90434143

IUPAC3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1=C(c2cccnc2Cl)CCCC1
InChIInChI=1S/C18H17ClN2O3/c19-18-14(6-3-7-21-18)13-5-2-1-4-12(13)11-24-17-9-20-8-16(23)15(17)10-22/h3,6-10,23H,1-2,4-5,11H2
InChIKeyUVNAIBFVRARPHC-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.05
Rot. Bonds5

About 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde

3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde (PubChem CID 90434143) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
PubChem CID90434143
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1=C(c2cccnc2Cl)CCCC1
InChIInChI=1S/C18H17ClN2O3/c19-18-14(6-3-7-21-18)13-5-2-1-4-12(13)11-24-17-9-20-8-16(23)15(17)10-22/h3,6-10,23H,1-2,4-5,11H2
InChIKeyUVNAIBFVRARPHC-UHFFFAOYSA-N
XLogP4.05
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde
CID 90426954
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434224
3-hydroxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 90434153
5-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde
CID 90427809
2-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-6-fluorobenzaldehyde
CID 90426956
3-[[2-(2-ethylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 90434062
5-[[2-(2-chlorophenyl)cyclohexen-1-yl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 90427296
2-hydroxy-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]benzaldehyde
CID 90434196
2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
CID 90448314
3-chloro-5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 118867760
3-chloro-5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 90434169
3-chloro-6-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]-2-hydroxybenzaldehyde
CID 90427242

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The IUPAC name of 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde (CID 90434143) is 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde.
What is the SMILES notation for 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The canonical SMILES for 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde is O=Cc1c(O)cncc1OCC1=C(c2cccnc2Cl)CCCC1.
What is the InChIKey of 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The InChIKey is UVNAIBFVRARPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-18-14(6-3-7-21-18)13-5-2-1-4-12(13)11-24-17-9-20-8-16(23)15(17)10-22/h3,6-10,23H,1-2,4-5,11H2.
What are the key properties of 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde has a molecular weight of 344.80 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde is sourced from PubChem (CID 90434143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).