6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde

C16H16ClNO2 — CID 80631862

IUPAC6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C=O)cn1
InChIInChI=1S/C16H16ClNO2/c1-10(2)13-7-15(11(3)6-14(13)17)20-16-5-4-12(9-19)8-18-16/h4-10H,1-3H3
InChIKeyCSDHBAKAEDZVJH-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.77
Rot. Bonds4

About 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde

6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde (PubChem CID 80631862) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
PubChem CID80631862
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1ccc(C=O)cn1
InChIInChI=1S/C16H16ClNO2/c1-10(2)13-7-15(11(3)6-14(13)17)20-16-5-4-12(9-19)8-18-16/h4-10H,1-3H3
InChIKeyCSDHBAKAEDZVJH-UHFFFAOYSA-N
XLogP4.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-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

[6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256523
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 43351972
6-(4-chloro-2,6-dimethylphenoxy)pyridine-3-carbaldehyde
CID 80632849
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluorobenzaldehyde
CID 106529539
6-(4-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80632252
6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde
CID 80631140
6-(4-chloronaphthalen-1-yl)oxypyridine-3-carbaldehyde
CID 80632138
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-ethylpyrimidin-4-amine
CID 80874108
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875963

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde (CID 80631862) is 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde is Cc1cc(Cl)c(C(C)C)cc1Oc1ccc(C=O)cn1.
What is the InChIKey of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde?
The InChIKey is CSDHBAKAEDZVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10(2)13-7-15(11(3)6-14(13)17)20-16-5-4-12(9-19)8-18-16/h4-10H,1-3H3.
What are the key properties of 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde?
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde has a molecular weight of 289.76 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 80631862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).