2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone

C13H7ClF3NO — CID 112655384

IUPAC2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7ClF3NO/c14-9-6-18-4-3-7(9)5-11(19)8-1-2-10(15)13(17)12(8)16/h1-4,6H,5H2
InChIKeyMJHBLBIVBWMLBM-UHFFFAOYSA-N
MW285.65 g/mol
LogP3.58
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone

2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone (PubChem CID 112655384) has the molecular formula C13H7ClF3NO and a molecular weight of 285.65 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
PubChem CID112655384
Molecular FormulaC13H7ClF3NO
Molecular Weight285.65 g/mol
Exact Mass285.02
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H7ClF3NO/c14-9-6-18-4-3-7(9)5-11(19)8-1-2-10(15)13(17)12(8)16/h1-4,6H,5H2
InChIKeyMJHBLBIVBWMLBM-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655296
2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 106865501
2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964096
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone
CID 106854794
2-(2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 55157525
1-(3-amino-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116604299
2-(2,3-dichlorophenyl)-1-(3-fluoro-4-pyridinyl)ethanone
CID 107307992
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533419
2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885260

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone (CID 112655384) is 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone is O=C(Cc1ccncc1Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone?
The InChIKey is MJHBLBIVBWMLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NO/c14-9-6-18-4-3-7(9)5-11(19)8-1-2-10(15)13(17)12(8)16/h1-4,6H,5H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone?
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone has a molecular weight of 285.65 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone is sourced from PubChem (CID 112655384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).