1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone

C15H15ClN2O2 — CID 116751757

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone
SMILESCCOC(C(=O)c1cc(Cl)cnc1N)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-14(10-6-4-3-5-7-10)13(19)12-8-11(16)9-18-15(12)17/h3-9,14H,2H2,1H3,(H2,17,18)
InChIKeyZWUIKUXOEBLONQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.28
Rot. Bonds5

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

1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone (PubChem CID 116751757) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone
PubChem CID116751757
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone
SMILESCCOC(C(=O)c1cc(Cl)cnc1N)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c1-2-20-14(10-6-4-3-5-7-10)13(19)12-8-11(16)9-18-15(12)17/h3-9,14H,2H2,1H3,(H2,17,18)
InChIKeyZWUIKUXOEBLONQ-UHFFFAOYSA-N
XLogP3.28
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone
CID 104891089
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
CID 116751709
ethyl 2-(2-ethoxy-2-phenylacetyl)benzoate
CID 141031593
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
propan-2-yl 2-amino-5-chloropyridine-3-carboxylate
CID 133055462
1-(1-benzofuran-2-yl)-2-ethoxy-2-phenylethanone
CID 114726260
2-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)-2-phenylethanone
CID 112743935
3-amino-1-(2-amino-5-methyl-3-pyridinyl)-2-phenylpropan-1-one
CID 116567110
2-ethoxy-1-(3-fluorophenyl)-2-phenylethanone
CID 116751792
1-(2-amino-5-chloro-3-pyridinyl)-2-ethylsulfanylethanone
CID 65131200
3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
CID 116751778

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone (CID 116751757) is 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone is CCOC(C(=O)c1cc(Cl)cnc1N)c1ccccc1.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone?
The InChIKey is ZWUIKUXOEBLONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-20-14(10-6-4-3-5-7-10)13(19)12-8-11(16)9-18-15(12)17/h3-9,14H,2H2,1H3,(H2,17,18).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone?
1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-phenylethanone has a molecular weight of 290.75 g/mol, XLogP of 3.28, 5 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-phenylethanone is sourced from PubChem (CID 116751757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).