6-cyclopropyl-3-ethyl-2-fluoropyridine

C10H12FN — CID 174053558

IUPAC6-cyclopropyl-3-ethyl-2-fluoropyridine
SMILESCCc1ccc(C2CC2)nc1F
InChIInChI=1S/C10H12FN/c1-2-7-5-6-9(8-3-4-8)12-10(7)11/h5-6,8H,2-4H2,1H3
InChIKeyJOCGIABGCZZCAC-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.66
Rot. Bonds2

About 6-cyclopropyl-3-ethyl-2-fluoropyridine

6-cyclopropyl-3-ethyl-2-fluoropyridine (PubChem CID 174053558) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-2-fluoropyridine.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-2-fluoropyridine
PubChem CID174053558
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name6-cyclopropyl-3-ethyl-2-fluoropyridine
SMILESCCc1ccc(C2CC2)nc1F
InChIInChI=1S/C10H12FN/c1-2-7-5-6-9(8-3-4-8)12-10(7)11/h5-6,8H,2-4H2,1H3
InChIKeyJOCGIABGCZZCAC-UHFFFAOYSA-N
XLogP2.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-2-fluoropyridine?
The IUPAC name of 6-cyclopropyl-3-ethyl-2-fluoropyridine (CID 174053558) is 6-cyclopropyl-3-ethyl-2-fluoropyridine.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-2-fluoropyridine?
The canonical SMILES for 6-cyclopropyl-3-ethyl-2-fluoropyridine is CCc1ccc(C2CC2)nc1F.
What is the InChIKey of 6-cyclopropyl-3-ethyl-2-fluoropyridine?
The InChIKey is JOCGIABGCZZCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-2-7-5-6-9(8-3-4-8)12-10(7)11/h5-6,8H,2-4H2,1H3.
What are the key properties of 6-cyclopropyl-3-ethyl-2-fluoropyridine?
6-cyclopropyl-3-ethyl-2-fluoropyridine has a molecular weight of 165.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-ethyl-2-fluoropyridine is sourced from PubChem (CID 174053558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).