1-ethyl-2H-pyridine

C7H11N — CID 18172714

IUPAC1-ethyl-2H-pyridine
SMILESCCN1C=CC=CC1
InChIInChI=1S/C7H11N/c1-2-8-6-4-3-5-7-8/h3-6H,2,7H2,1H3
InChIKeyUCRIXEWTILHNCG-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.39
Rot. Bonds1

About 1-ethyl-2H-pyridine

1-ethyl-2H-pyridine (PubChem CID 18172714) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-ethyl-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-2H-pyridine
PubChem CID18172714
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-ethyl-2H-pyridine
SMILESCCN1C=CC=CC1
InChIInChI=1S/C7H11N/c1-2-8-6-4-3-5-7-8/h3-6H,2,7H2,1H3
InChIKeyUCRIXEWTILHNCG-UHFFFAOYSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2H-pyridine?
The IUPAC name of 1-ethyl-2H-pyridine (CID 18172714) is 1-ethyl-2H-pyridine.
What is the SMILES notation for 1-ethyl-2H-pyridine?
The canonical SMILES for 1-ethyl-2H-pyridine is CCN1C=CC=CC1.
What is the InChIKey of 1-ethyl-2H-pyridine?
The InChIKey is UCRIXEWTILHNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-8-6-4-3-5-7-8/h3-6H,2,7H2,1H3.
What are the key properties of 1-ethyl-2H-pyridine?
1-ethyl-2H-pyridine has a molecular weight of 109.17 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2H-pyridine is sourced from PubChem (CID 18172714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).