6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde

C14H13NO3 — CID 80631360

IUPAC6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
SMILESCOc1cccc(COc2ccc(C=O)cn2)c1
InChIInChI=1S/C14H13NO3/c1-17-13-4-2-3-11(7-13)10-18-14-6-5-12(9-16)8-15-14/h2-9H,10H2,1H3
InChIKeyHTUPFSCHKMKJAP-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.48
Rot. Bonds5

About 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde

6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde (PubChem CID 80631360) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
PubChem CID80631360
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
SMILESCOc1cccc(COc2ccc(C=O)cn2)c1
InChIInChI=1S/C14H13NO3/c1-17-13-4-2-3-11(7-13)10-18-14-6-5-12(9-16)8-15-14/h2-9H,10H2,1H3
InChIKeyHTUPFSCHKMKJAP-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.48
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

6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
N-[[6-[(3-methoxyphenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 62289135
3-chloro-6-[(3-methoxyphenyl)methoxy]pyridazine
CID 24702532
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929137
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 80868695
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
2-[4-[(3-methoxyphenyl)methoxy]phenoxy]-5-nitropyridine
CID 67576981

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde (CID 80631360) is 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde is COc1cccc(COc2ccc(C=O)cn2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde?
The InChIKey is HTUPFSCHKMKJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-13-4-2-3-11(7-13)10-18-14-6-5-12(9-16)8-15-14/h2-9H,10H2,1H3.
What are the key properties of 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde?
6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 80631360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).