3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde

C13H10ClNO2 — CID 105405596

IUPAC3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H10ClNO2/c1-9-2-3-10(8-16)4-13(9)17-12-5-11(14)6-15-7-12/h2-8H,1H3
InChIKeyDBVPICXYMHHEFF-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.65
Rot. Bonds3

About 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde

3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde (PubChem CID 105405596) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
PubChem CID105405596
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H10ClNO2/c1-9-2-3-10(8-16)4-13(9)17-12-5-11(14)6-15-7-12/h2-8H,1H3
InChIKeyDBVPICXYMHHEFF-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'}

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Related Compounds

4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
CID 64601191
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
CID 64601579
5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde
CID 114844935
4-methyl-3-(4-propan-2-ylphenoxy)benzaldehyde
CID 105405402
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
4-methyl-3-(4-propoxyphenoxy)benzaldehyde
CID 105405469
3-(6-bromonaphthalen-2-yl)oxy-4-methylbenzaldehyde
CID 105405451
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile
CID 86689901

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde?
The IUPAC name of 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde (CID 105405596) is 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde.
What is the SMILES notation for 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde?
The canonical SMILES for 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde is Cc1ccc(C=O)cc1Oc1cncc(Cl)c1.
What is the InChIKey of 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde?
The InChIKey is DBVPICXYMHHEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-9-2-3-10(8-16)4-13(9)17-12-5-11(14)6-15-7-12/h2-8H,1H3.
What are the key properties of 3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde?
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde 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-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde is sourced from PubChem (CID 105405596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).