1-ethyl-2-fluoro-2H-pyridine

C7H10FN — CID 141132954

IUPAC1-ethyl-2-fluoro-2H-pyridine
SMILESCCN1C=CC=CC1F
InChIInChI=1S/C7H10FN/c1-2-9-6-4-3-5-7(9)8/h3-7H,2H2,1H3
InChIKeyKXLZPNSMUDMMKI-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.69
Rot. Bonds1

About 1-ethyl-2-fluoro-2H-pyridine

1-ethyl-2-fluoro-2H-pyridine (PubChem CID 141132954) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-2-fluoro-2H-pyridine
PubChem CID141132954
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name1-ethyl-2-fluoro-2H-pyridine
SMILESCCN1C=CC=CC1F
InChIInChI=1S/C7H10FN/c1-2-9-6-4-3-5-7(9)8/h3-7H,2H2,1H3
InChIKeyKXLZPNSMUDMMKI-UHFFFAOYSA-N
XLogP1.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-2H-pyridine?
The IUPAC name of 1-ethyl-2-fluoro-2H-pyridine (CID 141132954) is 1-ethyl-2-fluoro-2H-pyridine.
What is the SMILES notation for 1-ethyl-2-fluoro-2H-pyridine?
The canonical SMILES for 1-ethyl-2-fluoro-2H-pyridine is CCN1C=CC=CC1F.
What is the InChIKey of 1-ethyl-2-fluoro-2H-pyridine?
The InChIKey is KXLZPNSMUDMMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-2-9-6-4-3-5-7(9)8/h3-7H,2H2,1H3.
What are the key properties of 1-ethyl-2-fluoro-2H-pyridine?
1-ethyl-2-fluoro-2H-pyridine has a molecular weight of 127.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-2H-pyridine is sourced from PubChem (CID 141132954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).