4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde

C18H13NO5 — CID 146525168

IUPAC4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde
SMILESO=Cc1cc(-c2ncccc2COc2cccc(O)c2C=O)co1
InChIInChI=1S/C18H13NO5/c20-8-14-7-13(11-23-14)18-12(3-2-6-19-18)10-24-17-5-1-4-16(22)15(17)9-21/h1-9,11,22H,10H2
InChIKeyNWIMVWNVIKXXME-UHFFFAOYSA-N
MW323.30 g/mol
LogP3.25
Rot. Bonds6

About 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde

4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde (PubChem CID 146525168) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde
PubChem CID146525168
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde
SMILESO=Cc1cc(-c2ncccc2COc2cccc(O)c2C=O)co1
InChIInChI=1S/C18H13NO5/c20-8-14-7-13(11-23-14)18-12(3-2-6-19-18)10-24-17-5-1-4-16(22)15(17)9-21/h1-9,11,22H,10H2
InChIKeyNWIMVWNVIKXXME-UHFFFAOYSA-N
XLogP3.25
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 146525241
6-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]pyridine-2-carbaldehyde
CID 146525171
ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 90438070
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929
2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 86298334
2-chloro-3-(chloromethyl)pyridine;2-[(2-chloro-3-pyridinyl)methoxy]-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-(methoxymethoxy)benzaldehyde;methane
CID 157459600
2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzoic acid
CID 118869852
2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 138552520
2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde
CID 171417612
2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde
CID 129254370
2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
CID 90448314

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde?
The IUPAC name of 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde (CID 146525168) is 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde.
What is the SMILES notation for 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde?
The canonical SMILES for 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde is O=Cc1cc(-c2ncccc2COc2cccc(O)c2C=O)co1.
What is the InChIKey of 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde?
The InChIKey is NWIMVWNVIKXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c20-8-14-7-13(11-23-14)18-12(3-2-6-19-18)10-24-17-5-1-4-16(22)15(17)9-21/h1-9,11,22H,10H2.
What are the key properties of 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde?
4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde has a molecular weight of 323.30 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde is sourced from PubChem (CID 146525168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).