2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone

C15H15ClN2O — CID 105107515

IUPAC2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2ccncc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(2)13-5-3-11(4-6-13)15(19)9-12-7-8-17-10-14(12)16/h3-8,10H,9H2,1-2H3
InChIKeyBWDDKXLCJFPNEN-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.23
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone

2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone (PubChem CID 105107515) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone
PubChem CID105107515
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2ccncc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(2)13-5-3-11(4-6-13)15(19)9-12-7-8-17-10-14(12)16/h3-8,10H,9H2,1-2H3
InChIKeyBWDDKXLCJFPNEN-UHFFFAOYSA-N
XLogP3.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 114329680
1-(3-chloro-4-pyridinyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047726
1-[4-(dimethylamino)phenyl]-2-(2-methylphenyl)ethanone
CID 105079467
2-(3-chloro-4-pyridinyl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 115984812
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(3-amino-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116604299
(3-chloro-4-pyridinyl)methylcarbamic acid
CID 176952397
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
1-(3-bromo-5-nitrophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 115984817

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone (CID 105107515) is 2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone is CN(C)c1ccc(C(=O)Cc2ccncc2Cl)cc1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone?
The InChIKey is BWDDKXLCJFPNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(2)13-5-3-11(4-6-13)15(19)9-12-7-8-17-10-14(12)16/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone?
2-(3-chloro-4-pyridinyl)-1-[4-(dimethylamino)phenyl]ethanone has a molecular weight of 274.75 g/mol, XLogP of 3.23, 4 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-[4-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 105107515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).