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

C8H11ClFN — CID 167149932

IUPAC5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine
SMILESCCC1C(F)=CC(Cl)=CN1C
InChIInChI=1S/C8H11ClFN/c1-3-8-7(10)4-6(9)5-11(8)2/h4-5,8H,3H2,1-2H3
InChIKeyXYYAINKQUAVFDR-UHFFFAOYSA-N
MW175.63 g/mol
LogP2.64
Rot. Bonds1

About 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine

5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine (PubChem CID 167149932) has the molecular formula C8H11ClFN and a molecular weight of 175.63 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine
PubChem CID167149932
Molecular FormulaC8H11ClFN
Molecular Weight175.63 g/mol
Exact Mass175.06
IUPAC Name5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine
SMILESCCC1C(F)=CC(Cl)=CN1C
InChIInChI=1S/C8H11ClFN/c1-3-8-7(10)4-6(9)5-11(8)2/h4-5,8H,3H2,1-2H3
InChIKeyXYYAINKQUAVFDR-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

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Related Compounds

3-chloro-1,5-diethyl-2-fluoro-2H-pyridine
CID 57228517
2-Chloro-5-fluoro-1,2-dimethylpyridine
CID 118478768
3-chloro-2-ethyl-5-fluoro-1-methyl-2H-pyridine
CID 146392453
4-fluoro-N-methyl-N-[(E)-2-methylbut-1-enyl]cyclohexa-2,4-dien-1-amine
CID 170056320
4-chloro-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 117713099
5-chloro-1,2-dimethyl-2H-pyridine
CID 123363175
3-chloro-2-ethyl-1-methyl-2H-pyridine
CID 134213932
4-chloro-N-prop-1-enyl-N-propylcyclohexa-2,4-dien-1-amine
CID 142192379
5-chloro-1-methyl-2-propan-2-yl-2H-pyridine
CID 163834677

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine?
The IUPAC name of 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine (CID 167149932) is 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine.
What is the SMILES notation for 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine?
The canonical SMILES for 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine is CCC1C(F)=CC(Cl)=CN1C.
What is the InChIKey of 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine?
The InChIKey is XYYAINKQUAVFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN/c1-3-8-7(10)4-6(9)5-11(8)2/h4-5,8H,3H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine?
5-chloro-2-ethyl-3-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 5-chloro-2-ethyl-3-fluoro-1-methyl-2H-pyridine is sourced from PubChem (CID 167149932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).