6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde

C14H13NO3 — CID 80631507

IUPAC6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Oc1cccc(CO)c1
InChIInChI=1S/C14H13NO3/c1-10-5-12(9-17)7-15-14(10)18-13-4-2-3-11(6-13)8-16/h2-7,9,16H,8H2,1H3
InChIKeyVNHAXPABCIXCNS-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.49
Rot. Bonds4

About 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde

6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde (PubChem CID 80631507) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
PubChem CID80631507
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1Oc1cccc(CO)c1
InChIInChI=1S/C14H13NO3/c1-10-5-12(9-17)7-15-14(10)18-13-4-2-3-11(6-13)8-16/h2-7,9,16H,8H2,1H3
InChIKeyVNHAXPABCIXCNS-UHFFFAOYSA-N
XLogP2.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2-hydroxyethyl)phenoxy]-5-methylpyridine-3-carbaldehyde
CID 107709147
3-phenoxybenzaldehyde;(3-phenoxyphenyl)methanol
CID 138731649
6-(3,5-difluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 80631634
6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 82716271
methyl 4-[(5-formyl-3-methyl-2-pyridinyl)oxy]benzoate
CID 58835150
[5-methyl-6-(3-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 80628637
5-methyl-6-(4-nitrophenoxy)pyridine-3-carbaldehyde
CID 80631386
[6-[3-(dimethylamino)phenoxy]-5-methyl-3-pyridinyl]methanol
CID 80628307
[5-methyl-6-(3-nitrophenoxy)-3-pyridinyl]methanol
CID 80629220
[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanol
CID 79869651
[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628087
5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
CID 80631732

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde (CID 80631507) is 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1Oc1cccc(CO)c1.
What is the InChIKey of 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde?
The InChIKey is VNHAXPABCIXCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-5-12(9-17)7-15-14(10)18-13-4-2-3-11(6-13)8-16/h2-7,9,16H,8H2,1H3.
What are the key properties of 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde?
6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)phenoxy]-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80631507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).