3-chloro-5-ethylpyridine;ethane

C9H14ClN — CID 143545775

IUPAC3-chloro-5-ethylpyridine;ethane
SMILESCC.CCc1cncc(Cl)c1
InChIInChI=1S/C7H8ClN.C2H6/c1-2-6-3-7(8)5-9-4-6;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyAWBVYMBCQAUCPB-UHFFFAOYSA-N
MW171.67 g/mol
LogP3.32
Rot. Bonds1

About 3-chloro-5-ethylpyridine;ethane

3-chloro-5-ethylpyridine;ethane (PubChem CID 143545775) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is 3-chloro-5-ethylpyridine;ethane.

Molecular Properties

Compound Name3-chloro-5-ethylpyridine;ethane
PubChem CID143545775
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name3-chloro-5-ethylpyridine;ethane
SMILESCC.CCc1cncc(Cl)c1
InChIInChI=1S/C7H8ClN.C2H6/c1-2-6-3-7(8)5-9-4-6;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyAWBVYMBCQAUCPB-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethylpyridine;ethane?
The IUPAC name of 3-chloro-5-ethylpyridine;ethane (CID 143545775) is 3-chloro-5-ethylpyridine;ethane.
What is the SMILES notation for 3-chloro-5-ethylpyridine;ethane?
The canonical SMILES for 3-chloro-5-ethylpyridine;ethane is CC.CCc1cncc(Cl)c1.
What is the InChIKey of 3-chloro-5-ethylpyridine;ethane?
The InChIKey is AWBVYMBCQAUCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.C2H6/c1-2-6-3-7(8)5-9-4-6;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of 3-chloro-5-ethylpyridine;ethane?
3-chloro-5-ethylpyridine;ethane has a molecular weight of 171.67 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethylpyridine;ethane is sourced from PubChem (CID 143545775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).