5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde

C12H11NO2 — CID 143451318

IUPAC5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde
SMILESO=Cc1ccc(OC2=CCCC=C2)cn1
InChIInChI=1S/C12H11NO2/c14-9-10-6-7-12(8-13-10)15-11-4-2-1-3-5-11/h2,4-9H,1,3H2
InChIKeyGTTWZEMPFZXSLI-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.51
Rot. Bonds3

About 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde

5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde (PubChem CID 143451318) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde
PubChem CID143451318
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde
SMILESO=Cc1ccc(OC2=CCCC=C2)cn1
InChIInChI=1S/C12H11NO2/c14-9-10-6-7-12(8-13-10)15-11-4-2-1-3-5-11/h2,4-9H,1,3H2
InChIKeyGTTWZEMPFZXSLI-UHFFFAOYSA-N
XLogP2.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexa-1,5-dien-1-yl formate
CID 21076533
6-cyclohexa-1,5-dien-1-yloxypyridine-3-carboxylic acid
CID 142287385
5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde
CID 177219370
5-(cyclopropylmethoxy)pyridine-2-carbaldehyde
CID 79793773
(6-formyl-3-pyridinyl) carbamate
CID 175352673
1-(4-cyclohexa-1,5-dien-1-yloxyphenyl)-N-ethenylethanimine;ethane
CID 154689264
5-(2-cyclopropylethoxy)pyridine-2-carbaldehyde
CID 79794927
5-pent-4-enoxypyridine-2-carbaldehyde
CID 79794228
5-but-2-ynoxypyridine-2-carbaldehyde
CID 79794219
N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
CID 79793955
N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
CID 79794503
5-(2,5-dihydropyrrol-1-yl)pyridine-2-carbaldehyde
CID 165453204

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde (CID 143451318) is 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde is O=Cc1ccc(OC2=CCCC=C2)cn1.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde?
The InChIKey is GTTWZEMPFZXSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-9-10-6-7-12(8-13-10)15-11-4-2-1-3-5-11/h2,4-9H,1,3H2.
What are the key properties of 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde?
5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde has a molecular weight of 201.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yloxypyridine-2-carbaldehyde is sourced from PubChem (CID 143451318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).