2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde

C16H16N4O4 — CID 134692628

IUPAC2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde
SMILESCOc1ccc(COCc2cnc(CN=[N+]=[N-])c(O)c2C=O)cc1
InChIInChI=1S/C16H16N4O4/c1-23-13-4-2-11(3-5-13)9-24-10-12-6-18-15(7-19-20-17)16(22)14(12)8-21/h2-6,8,22H,7,9-10H2,1H3
InChIKeyYYKGXHKMSYYTPD-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.14
Rot. Bonds8

About 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde

2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde (PubChem CID 134692628) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde
PubChem CID134692628
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde
SMILESCOc1ccc(COCc2cnc(CN=[N+]=[N-])c(O)c2C=O)cc1
InChIInChI=1S/C16H16N4O4/c1-23-13-4-2-11(3-5-13)9-24-10-12-6-18-15(7-19-20-17)16(22)14(12)8-21/h2-6,8,22H,7,9-10H2,1H3
InChIKeyYYKGXHKMSYYTPD-UHFFFAOYSA-N
XLogP3.14
TPSA117.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxyphenyl)methoxymethyl]-2,4-dimethylpyridin-3-ol
CID 155358636
(E)-4-[(4-methoxyphenyl)methoxy]-3-methylbut-2-enal
CID 101450016
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde
CID 22607272
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
3-chloro-2-hydroxy-4-[[3-[3-[(4-methoxyphenyl)methoxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]benzaldehyde
CID 172690476
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enyl] 2-diazoacetate
CID 140503961
2-[(4-methoxyphenyl)methoxymethyl]-1,3-oxazole-4-carbaldehyde
CID 10944748
4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline
CID 43350184
5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
CID 79775250
(4-methoxyphenyl) 2-azidoacetate
CID 154028305

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde?
The IUPAC name of 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde (CID 134692628) is 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde is COc1ccc(COCc2cnc(CN=[N+]=[N-])c(O)c2C=O)cc1.
What is the InChIKey of 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde?
The InChIKey is YYKGXHKMSYYTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-23-13-4-2-11(3-5-13)9-24-10-12-6-18-15(7-19-20-17)16(22)14(12)8-21/h2-6,8,22H,7,9-10H2,1H3.
What are the key properties of 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde?
2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde has a molecular weight of 328.33 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-3-hydroxy-5-[(4-methoxyphenyl)methoxymethyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 134692628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).