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

C13H10ClNO2 — CID 64601191

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H10ClNO2/c1-9-4-10(8-16)2-3-13(9)17-12-5-11(14)6-15-7-12/h2-8H,1H3
InChIKeyCMETYHSEGFPTRP-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.65
Rot. Bonds3

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

4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde (PubChem CID 64601191) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
PubChem CID64601191
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C13H10ClNO2/c1-9-4-10(8-16)2-3-13(9)17-12-5-11(14)6-15-7-12/h2-8H,1H3
InChIKeyCMETYHSEGFPTRP-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

3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
CID 105405596
5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde
CID 114844935
4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
CID 64601579
4-(3,5-dimethoxyphenoxy)-3-methylbenzaldehyde
CID 62122305
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
3-methyl-4-pyrazin-2-yloxybenzaldehyde
CID 91569099
3-methyl-4-naphthalen-2-yloxybenzaldehyde
CID 63535815
5-(2-chloro-4-formylphenoxy)pyridine-3-carbonitrile
CID 86689901
4-(3-chloro-4-nitrophenoxy)-3-methylbenzaldehyde
CID 62121798
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
3-[4-[(5-bromo-3-pyridinyl)oxy]-3-methylphenyl]prop-2-enoic acid
CID 77022550

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde (CID 64601191) is 4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde is Cc1cc(C=O)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde?
The InChIKey is CMETYHSEGFPTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-9-4-10(8-16)2-3-13(9)17-12-5-11(14)6-15-7-12/h2-8H,1H3.
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde?
4-[(5-chloro-3-pyridinyl)oxy]-3-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 4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde is sourced from PubChem (CID 64601191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).