1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one

C13H19ClN2O2 — CID 116747324

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
SMILESCCOC(CC)(CC)C(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C13H19ClN2O2/c1-4-13(5-2,18-6-3)11(17)10-7-9(14)8-16-12(10)15/h7-8H,4-6H2,1-3H3,(H2,15,16)
InChIKeyGISDONKUZGQPBE-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.10
Rot. Bonds6

About 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one

1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one (PubChem CID 116747324) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
PubChem CID116747324
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
SMILESCCOC(CC)(CC)C(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C13H19ClN2O2/c1-4-13(5-2,18-6-3)11(17)10-7-9(14)8-16-12(10)15/h7-8H,4-6H2,1-3H3,(H2,15,16)
InChIKeyGISDONKUZGQPBE-UHFFFAOYSA-N
XLogP3.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one
CID 79062827
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
CID 116747229
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one
CID 116598749
1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
CID 65131200
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclopentyl)methanone
CID 116747900
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone
CID 116748436
1-(2-amino-5-chloro-3-pyridinyl)-2-tert-butylsulfanylethanone
CID 65133698
1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 116750132
1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone
CID 116751757

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one (CID 116747324) is 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one is CCOC(CC)(CC)C(=O)c1cc(Cl)cnc1N.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one?
The InChIKey is GISDONKUZGQPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-13(5-2,18-6-3)11(17)10-7-9(14)8-16-12(10)15/h7-8H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one?
1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one has a molecular weight of 270.76 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one is sourced from PubChem (CID 116747324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).