2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone

C15H14ClNO2 — CID 115533419

IUPAC2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccncc1Cl
InChIInChI=1S/C15H14ClNO2/c1-2-19-15-6-4-3-5-12(15)14(18)9-11-7-8-17-10-13(11)16/h3-8,10H,2,9H2,1H3
InChIKeyTZXKHQIPCKDOMF-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.56
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone

2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone (PubChem CID 115533419) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
PubChem CID115533419
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)Cc1ccncc1Cl
InChIInChI=1S/C15H14ClNO2/c1-2-19-15-6-4-3-5-12(15)14(18)9-11-7-8-17-10-13(11)16/h3-8,10H,2,9H2,1H3
InChIKeyTZXKHQIPCKDOMF-UHFFFAOYSA-N
XLogP3.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116604299
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
2-[2-(aminomethyl)phenyl]-1-(2-ethoxyphenyl)ethanone
CID 116595884
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81230248
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
2-(2-amino-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533428
1-(2-propoxyphenyl)-2-pyridin-3-ylethanone
CID 113438197
3-(2-ethoxyphenyl)-3-oxopropanoic acid
CID 170886850
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone (CID 115533419) is 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)Cc1ccncc1Cl.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone?
The InChIKey is TZXKHQIPCKDOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-2-19-15-6-4-3-5-12(15)14(18)9-11-7-8-17-10-13(11)16/h3-8,10H,2,9H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone?
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone has a molecular weight of 275.74 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 115533419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).