3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde

C11H9NO3 — CID 106886589

IUPAC3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde
SMILESCOc1cc(-c2ccoc2C=O)ccn1
InChIInChI=1S/C11H9NO3/c1-14-11-6-8(2-4-12-11)9-3-5-15-10(9)7-13/h2-7H,1H3
InChIKeyNCSMHPWWNBYXFS-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.16
Rot. Bonds3

About 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde

3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde (PubChem CID 106886589) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde
PubChem CID106886589
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde
SMILESCOc1cc(-c2ccoc2C=O)ccn1
InChIInChI=1S/C11H9NO3/c1-14-11-6-8(2-4-12-11)9-3-5-15-10(9)7-13/h2-7H,1H3
InChIKeyNCSMHPWWNBYXFS-UHFFFAOYSA-N
XLogP2.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.16
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

3-(5-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 106886591
4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde
CID 172649224
3-(2-methoxy-4-pyridinyl)-2-propan-2-yloxybenzaldehyde
CID 172649236
4-(2,4-dimethylphenyl)-2-methoxypyridine
CID 90207417
3-(3,4-difluorophenyl)furan-2-carbaldehyde
CID 106886467
3-(3-chloro-4-methylphenyl)furan-2-carbaldehyde
CID 106886583
3-chloro-5-(2-methoxy-4-pyridinyl)benzaldehyde
CID 172649246
4-(2-fluoro-3-methylphenyl)-2-methoxypyridine
CID 178155180
3-(4-methoxynaphthalen-1-yl)furan-2-carbaldehyde
CID 106888428
2-(2-methoxy-4-pyridinyl)-6-methylaniline
CID 165370001
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
CID 106887863
2-methoxy-4-(1H-pyrazol-5-yl)pyridine
CID 130977878

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde (CID 106886589) is 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde is COc1cc(-c2ccoc2C=O)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde?
The InChIKey is NCSMHPWWNBYXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-14-11-6-8(2-4-12-11)9-3-5-15-10(9)7-13/h2-7H,1H3.
What are the key properties of 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde?
3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde is sourced from PubChem (CID 106886589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).