3-butoxypyridine-2-carbaldehyde

C10H13NO2 — CID 86631140

IUPAC3-butoxypyridine-2-carbaldehyde
SMILESCCCCOc1cccnc1C=O
InChIInChI=1S/C10H13NO2/c1-2-3-7-13-10-5-4-6-11-9(10)8-12/h4-6,8H,2-3,7H2,1H3
InChIKeyJEUHRFMGDNPTQX-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.07
Rot. Bonds5

About 3-butoxypyridine-2-carbaldehyde

3-butoxypyridine-2-carbaldehyde (PubChem CID 86631140) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-butoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-butoxypyridine-2-carbaldehyde
PubChem CID86631140
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-butoxypyridine-2-carbaldehyde
SMILESCCCCOc1cccnc1C=O
InChIInChI=1S/C10H13NO2/c1-2-3-7-13-10-5-4-6-11-9(10)8-12/h4-6,8H,2-3,7H2,1H3
InChIKeyJEUHRFMGDNPTQX-UHFFFAOYSA-N
XLogP2.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.07
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

3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
2,3-didecoxypyridine
CID 151922374
3-(cyclohexylmethoxy)pyridine-2-carbaldehyde
CID 171364232
2-pentoxypyridine-3-carbaldehyde
CID 11622489
3-(methoxymethyl)pyridine-2-carbaldehyde
CID 87637871
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
1,3-dibutoxy-2-methylbenzene
CID 14475066
3-decoxy-2-nitropyridine
CID 152620226
7-butoxy-6-methoxyquinoline
CID 161197918
(3-pentoxy-2-pyridinyl)hydrazine
CID 55281396
4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde
CID 10081815
5-butoxynaphthalene-1,4-dione
CID 15194033

Frequently Asked Questions

What is the IUPAC name of 3-butoxypyridine-2-carbaldehyde?
The IUPAC name of 3-butoxypyridine-2-carbaldehyde (CID 86631140) is 3-butoxypyridine-2-carbaldehyde.
What is the SMILES notation for 3-butoxypyridine-2-carbaldehyde?
The canonical SMILES for 3-butoxypyridine-2-carbaldehyde is CCCCOc1cccnc1C=O.
What is the InChIKey of 3-butoxypyridine-2-carbaldehyde?
The InChIKey is JEUHRFMGDNPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-3-7-13-10-5-4-6-11-9(10)8-12/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 3-butoxypyridine-2-carbaldehyde?
3-butoxypyridine-2-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxypyridine-2-carbaldehyde is sourced from PubChem (CID 86631140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).