3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane

C12H20ClN — CID 142611311

IUPAC3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane
SMILESCC.CCc1ncc(C(C)C)cc1Cl
InChIInChI=1S/C10H14ClN.C2H6/c1-4-10-9(11)5-8(6-12-10)7(2)3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyHWXNFYVSRDKHSX-UHFFFAOYSA-N
MW213.75 g/mol
LogP4.45
Rot. Bonds2

About 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane

3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane (PubChem CID 142611311) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane.

Molecular Properties

Compound Name3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane
PubChem CID142611311
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane
SMILESCC.CCc1ncc(C(C)C)cc1Cl
InChIInChI=1S/C10H14ClN.C2H6/c1-4-10-9(11)5-8(6-12-10)7(2)3;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyHWXNFYVSRDKHSX-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane?
The IUPAC name of 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane (CID 142611311) is 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane.
What is the SMILES notation for 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane?
The canonical SMILES for 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane is CC.CCc1ncc(C(C)C)cc1Cl.
What is the InChIKey of 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane?
The InChIKey is HWXNFYVSRDKHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN.C2H6/c1-4-10-9(11)5-8(6-12-10)7(2)3;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane?
3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane has a molecular weight of 213.75 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane is sourced from PubChem (CID 142611311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).