6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine

C8H11ClFN — CID 167150001

IUPAC6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine
SMILESCCC1=CC=C(Cl)N(C)C1F
InChIInChI=1S/C8H11ClFN/c1-3-6-4-5-7(9)11(2)8(6)10/h4-5,8H,3H2,1-2H3
InChIKeyJSCJKSHOHIVBLO-UHFFFAOYSA-N
MW175.63 g/mol
LogP2.64
Rot. Bonds1

About 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine

6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine (PubChem CID 167150001) has the molecular formula C8H11ClFN and a molecular weight of 175.63 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine
PubChem CID167150001
Molecular FormulaC8H11ClFN
Molecular Weight175.63 g/mol
Exact Mass175.06
IUPAC Name6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine
SMILESCCC1=CC=C(Cl)N(C)C1F
InChIInChI=1S/C8H11ClFN/c1-3-6-4-5-7(9)11(2)8(6)10/h4-5,8H,3H2,1-2H3
InChIKeyJSCJKSHOHIVBLO-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.63
LogP ≤ 52.64
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 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine?
The IUPAC name of 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine (CID 167150001) is 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine.
What is the SMILES notation for 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine?
The canonical SMILES for 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine is CCC1=CC=C(Cl)N(C)C1F.
What is the InChIKey of 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine?
The InChIKey is JSCJKSHOHIVBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN/c1-3-6-4-5-7(9)11(2)8(6)10/h4-5,8H,3H2,1-2H3.
What are the key properties of 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine?
6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine has a molecular weight of 175.63 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-fluoro-1-methyl-2H-pyridine is sourced from PubChem (CID 167150001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).