2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde

C14H12ClNO2 — CID 114055694

IUPAC2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde
SMILESCc1cc(Oc2ncccc2C=O)cc(C)c1Cl
InChIInChI=1S/C14H12ClNO2/c1-9-6-12(7-10(2)13(9)15)18-14-11(8-17)4-3-5-16-14/h3-8H,1-2H3
InChIKeyQYRVSUHYUUEJPG-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.96
Rot. Bonds3

About 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde

2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde (PubChem CID 114055694) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde
PubChem CID114055694
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde
SMILESCc1cc(Oc2ncccc2C=O)cc(C)c1Cl
InChIInChI=1S/C14H12ClNO2/c1-9-6-12(7-10(2)13(9)15)18-14-11(8-17)4-3-5-16-14/h3-8H,1-2H3
InChIKeyQYRVSUHYUUEJPG-UHFFFAOYSA-N
XLogP3.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
2-(3-methyl-4-nitrophenoxy)pyridine-3-carbaldehyde
CID 114055703
3-chloro-2-(4-chloro-3,5-dimethylphenoxy)benzaldehyde
CID 114067235
2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbaldehyde
CID 114055648
3-(4-chloro-3,5-dimethylphenoxy)pyrazin-2-amine
CID 102987996
2-methoxypyridine-3-carbaldehyde;phosphoric acid
CID 172754145
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144668
2-pentoxypyridine-3-carbaldehyde
CID 11622489
2-methyl-4-pyridin-3-yloxybenzaldehyde
CID 62135095
(E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 114057080
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 934072
5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde
CID 91511347

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde (CID 114055694) is 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde is Cc1cc(Oc2ncccc2C=O)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde?
The InChIKey is QYRVSUHYUUEJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-9-6-12(7-10(2)13(9)15)18-14-11(8-17)4-3-5-16-14/h3-8H,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde?
2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde has a molecular weight of 261.71 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 114055694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).