1-propoxy-4H-pyridine

C8H13NO — CID 172792076

IUPAC1-propoxy-4H-pyridine
SMILESCCCON1C=CCC=C1
InChIInChI=1S/C8H13NO/c1-2-8-10-9-6-4-3-5-7-9/h4-7H,2-3,8H2,1H3
InChIKeyPRZAKLGLQBMUGZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.06
Rot. Bonds3

About 1-propoxy-4H-pyridine

1-propoxy-4H-pyridine (PubChem CID 172792076) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-propoxy-4H-pyridine.

Molecular Properties

Compound Name1-propoxy-4H-pyridine
PubChem CID172792076
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-propoxy-4H-pyridine
SMILESCCCON1C=CCC=C1
InChIInChI=1S/C8H13NO/c1-2-8-10-9-6-4-3-5-7-9/h4-7H,2-3,8H2,1H3
InChIKeyPRZAKLGLQBMUGZ-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5,6-dihydrooxazine
CID 20162715
Ethoxy-dihydropyrrole
CID 69085960
2-Vinyl-3,4-dihydrooxazine
CID 69792050
Ethoxy-1,4,5,6-tetrahydropyridine
CID 129779094
2-Ethyl-5,6-dihydrooxazine
CID 171037587
2-Isopropyl-5,6-dihydrooxazine
CID 171037588
2,5-dimethyl-5H-1,2-oxazole
CID 18779438
2-Ethenyl-6-ethyl-5,6-dihydrooxazine
CID 20186127
1-ethoxy-4H-pyridine
CID 20549679
1-(2-propoxyethoxy)-4H-pyridine
CID 21611730
2-[(E)-but-1-enyl]oxazine
CID 23067243
2-Ethenyl-2,4-dimethyloxazin-2-ium
CID 67907999

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-4H-pyridine?
The IUPAC name of 1-propoxy-4H-pyridine (CID 172792076) is 1-propoxy-4H-pyridine.
What is the SMILES notation for 1-propoxy-4H-pyridine?
The canonical SMILES for 1-propoxy-4H-pyridine is CCCON1C=CCC=C1.
What is the InChIKey of 1-propoxy-4H-pyridine?
The InChIKey is PRZAKLGLQBMUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-8-10-9-6-4-3-5-7-9/h4-7H,2-3,8H2,1H3.
What are the key properties of 1-propoxy-4H-pyridine?
1-propoxy-4H-pyridine has a molecular weight of 139.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-4H-pyridine is sourced from PubChem (CID 172792076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).