2-pentoxypyridine-3-carbaldehyde

C11H15NO2 — CID 11622489

IUPAC2-pentoxypyridine-3-carbaldehyde
SMILESCCCCCOc1ncccc1C=O
InChIInChI=1S/C11H15NO2/c1-2-3-4-8-14-11-10(9-13)6-5-7-12-11/h5-7,9H,2-4,8H2,1H3
InChIKeyWKDKJXULDCNXQE-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.46
Rot. Bonds6

About 2-pentoxypyridine-3-carbaldehyde

2-pentoxypyridine-3-carbaldehyde (PubChem CID 11622489) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-pentoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-pentoxypyridine-3-carbaldehyde
PubChem CID11622489
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-pentoxypyridine-3-carbaldehyde
SMILESCCCCCOc1ncccc1C=O
InChIInChI=1S/C11H15NO2/c1-2-3-4-8-14-11-10(9-13)6-5-7-12-11/h5-7,9H,2-4,8H2,1H3
InChIKeyWKDKJXULDCNXQE-UHFFFAOYSA-N
XLogP2.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-didecoxypyridine
CID 151922374
(2-octoxy-3-pyridinyl)boronic acid
CID 57324718
2-hexoxypyridine-3-sulfonamide
CID 112572977
(2-butoxy-3-pyridinyl)boronic acid
CID 56776625
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
2-hexoxypyridine-3-carbonitrile
CID 29001326
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
2-methoxypyridine-3-carbaldehyde;phosphoric acid
CID 172754145
3-butoxypyridine-2-carbaldehyde
CID 86631140
1,5-diheptoxynaphthalene-2,6-dicarbaldehyde
CID 102384866
N'-(4-decoxyphenyl)-3-formyl-N-hydroxypyridine-2-carboximidamide
CID 136627531

Frequently Asked Questions

What is the IUPAC name of 2-pentoxypyridine-3-carbaldehyde?
The IUPAC name of 2-pentoxypyridine-3-carbaldehyde (CID 11622489) is 2-pentoxypyridine-3-carbaldehyde.
What is the SMILES notation for 2-pentoxypyridine-3-carbaldehyde?
The canonical SMILES for 2-pentoxypyridine-3-carbaldehyde is CCCCCOc1ncccc1C=O.
What is the InChIKey of 2-pentoxypyridine-3-carbaldehyde?
The InChIKey is WKDKJXULDCNXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-4-8-14-11-10(9-13)6-5-7-12-11/h5-7,9H,2-4,8H2,1H3.
What are the key properties of 2-pentoxypyridine-3-carbaldehyde?
2-pentoxypyridine-3-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxypyridine-3-carbaldehyde is sourced from PubChem (CID 11622489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).