3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde

C13H10ClNO2 — CID 81151107

IUPAC3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
SMILESCc1ccc(Oc2ccc(C=O)cc2Cl)cn1
InChIInChI=1S/C13H10ClNO2/c1-9-2-4-11(7-15-9)17-13-5-3-10(8-16)6-12(13)14/h2-8H,1H3
InChIKeyRONUIEMMOPZTLU-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde

3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde (PubChem CID 81151107) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
PubChem CID81151107
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
SMILESCc1ccc(Oc2ccc(C=O)cc2Cl)cn1
InChIInChI=1S/C13H10ClNO2/c1-9-2-4-11(7-15-9)17-13-5-3-10(8-16)6-12(13)14/h2-8H,1H3
InChIKeyRONUIEMMOPZTLU-UHFFFAOYSA-N
XLogP3.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde 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

3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
4-(4-tert-butylphenoxy)-3-chlorobenzaldehyde
CID 81151884
[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 66825550
3-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 81151574
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
CID 81152103
N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 81152126
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 81151886
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
CID 62073920
1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine
CID 81160757

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde?
The IUPAC name of 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde (CID 81151107) is 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde.
What is the SMILES notation for 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde?
The canonical SMILES for 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde is Cc1ccc(Oc2ccc(C=O)cc2Cl)cn1.
What is the InChIKey of 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde?
The InChIKey is RONUIEMMOPZTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-9-2-4-11(7-15-9)17-13-5-3-10(8-16)6-12(13)14/h2-8H,1H3.
What are the key properties of 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde?
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde has a molecular weight of 247.68 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde is sourced from PubChem (CID 81151107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).