3-chloro-1,5-diethyl-2-fluoro-2H-pyridine

C9H13ClFN — CID 57228517

IUPAC3-chloro-1,5-diethyl-2-fluoro-2H-pyridine
SMILESCCC1=CN(CC)C(F)C(Cl)=C1
InChIInChI=1S/C9H13ClFN/c1-3-7-5-8(10)9(11)12(4-2)6-7/h5-6,9H,3-4H2,1-2H3
InChIKeyDVGRHYOUFNHPCS-UHFFFAOYSA-N
MW189.66 g/mol
LogP3.03
Rot. Bonds2

About 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine

3-chloro-1,5-diethyl-2-fluoro-2H-pyridine (PubChem CID 57228517) has the molecular formula C9H13ClFN and a molecular weight of 189.66 g/mol. Its IUPAC name is 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine.

Molecular Properties

Compound Name3-chloro-1,5-diethyl-2-fluoro-2H-pyridine
PubChem CID57228517
Molecular FormulaC9H13ClFN
Molecular Weight189.66 g/mol
Exact Mass189.07
IUPAC Name3-chloro-1,5-diethyl-2-fluoro-2H-pyridine
SMILESCCC1=CN(CC)C(F)C(Cl)=C1
InChIInChI=1S/C9H13ClFN/c1-3-7-5-8(10)9(11)12(4-2)6-7/h5-6,9H,3-4H2,1-2H3
InChIKeyDVGRHYOUFNHPCS-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.66
LogP ≤ 53.03
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 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine?
The IUPAC name of 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine (CID 57228517) is 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine.
What is the SMILES notation for 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine?
The canonical SMILES for 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine is CCC1=CN(CC)C(F)C(Cl)=C1.
What is the InChIKey of 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine?
The InChIKey is DVGRHYOUFNHPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFN/c1-3-7-5-8(10)9(11)12(4-2)6-7/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine?
3-chloro-1,5-diethyl-2-fluoro-2H-pyridine has a molecular weight of 189.66 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,5-diethyl-2-fluoro-2H-pyridine is sourced from PubChem (CID 57228517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).