5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde

C12H11NO3 — CID 87479880

IUPAC5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
SMILESCOc1cncc(-c2cc(C=O)c(C)o2)c1
InChIInChI=1S/C12H11NO3/c1-8-10(7-14)4-12(16-8)9-3-11(15-2)6-13-5-9/h3-7H,1-2H3
InChIKeyJHYQRGYRCAJQEG-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.47
Rot. Bonds3

About 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde

5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde (PubChem CID 87479880) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde.

Molecular Properties

Compound Name5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
PubChem CID87479880
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
SMILESCOc1cncc(-c2cc(C=O)c(C)o2)c1
InChIInChI=1S/C12H11NO3/c1-8-10(7-14)4-12(16-8)9-3-11(15-2)6-13-5-9/h3-7H,1-2H3
InChIKeyJHYQRGYRCAJQEG-UHFFFAOYSA-N
XLogP2.47
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.47
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-(6-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87480245
2-methyl-5-phenylfuran-3-carbaldehyde
CID 2795313
3-(furan-2-yl)-5-methoxypyridine
CID 174589333
6-(5-methoxy-3-pyridinyl)-1,3-benzoxazole-2-carbaldehyde
CID 122447531
3-(5-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 106886591
tert-butyl-[5-(5-methoxy-3-pyridinyl)-1,3-oxazol-2-yl]-dimethylsilane
CID 59105310
6-(5-methoxy-3-pyridinyl)-1,3-benzothiazole-2-carbaldehyde
CID 122447509
4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde
CID 11770188
7-(5-methoxy-3-pyridinyl)-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carbaldehyde
CID 142706125
(E)-2-[6-(5-methoxy-3-pyridinyl)-1,3-benzoxazol-2-yl]-N-methylethenamine
CID 122495018
5-(3-methoxyphenyl)-2,3-dimethylfuran
CID 70996763
2-methyl-5-nitrosofuran-3-carbaldehyde
CID 174916217

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde?
The IUPAC name of 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde (CID 87479880) is 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde.
What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde?
The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde is COc1cncc(-c2cc(C=O)c(C)o2)c1.
What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde?
The InChIKey is JHYQRGYRCAJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-10(7-14)4-12(16-8)9-3-11(15-2)6-13-5-9/h3-7H,1-2H3.
What are the key properties of 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde?
5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde has a molecular weight of 217.22 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde is sourced from PubChem (CID 87479880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).