3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde

C14H12ClNO3 — CID 22607272

IUPAC3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde
SMILESCOc1ccc(COc2cncc(Cl)c2C=O)cc1
InChIInChI=1S/C14H12ClNO3/c1-18-11-4-2-10(3-5-11)9-19-14-7-16-6-13(15)12(14)8-17/h2-8H,9H2,1H3
InChIKeyFAQVCJUPTWCUCM-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.14
Rot. Bonds5

About 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde

3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde (PubChem CID 22607272) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde
PubChem CID22607272
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde
SMILESCOc1ccc(COc2cncc(Cl)c2C=O)cc1
InChIInChI=1S/C14H12ClNO3/c1-18-11-4-2-10(3-5-11)9-19-14-7-16-6-13(15)12(14)8-17/h2-8H,9H2,1H3
InChIKeyFAQVCJUPTWCUCM-UHFFFAOYSA-N
XLogP3.14
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 113469448
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
3-chloro-5-[[2-(2-hydroxybutan-2-yl)cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 118867760
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
2-chloro-6-[(3,4-dimethoxyphenyl)methoxy]benzaldehyde
CID 60790504
3-chloro-5-[[2-(2-hydroxypentan-2-yl)cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 90434169
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde (CID 22607272) is 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde is COc1ccc(COc2cncc(Cl)c2C=O)cc1.
What is the InChIKey of 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde?
The InChIKey is FAQVCJUPTWCUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-18-11-4-2-10(3-5-11)9-19-14-7-16-6-13(15)12(14)8-17/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde?
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde has a molecular weight of 277.71 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 22607272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).