1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone

C13H7Cl2F2NO — CID 112655306

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H7Cl2F2NO/c14-9-5-11(16)8(4-12(9)17)13(19)3-7-1-2-18-6-10(7)15/h1-2,4-6H,3H2
InChIKeyUPTDGYBNJLMOFQ-UHFFFAOYSA-N
MW302.11 g/mol
LogP4.09
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone

1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone (PubChem CID 112655306) has the molecular formula C13H7Cl2F2NO and a molecular weight of 302.11 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
PubChem CID112655306
Molecular FormulaC13H7Cl2F2NO
Molecular Weight302.11 g/mol
Exact Mass300.99
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H7Cl2F2NO/c14-9-5-11(16)8(4-12(9)17)13(19)3-7-1-2-18-6-10(7)15/h1-2,4-6H,3H2
InChIKeyUPTDGYBNJLMOFQ-UHFFFAOYSA-N
XLogP4.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655296
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 115816050
2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 82771447
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655781
2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885260
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone
CID 106854794
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid
CID 86710327
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone (CID 112655306) is 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone is O=C(Cc1ccncc1Cl)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The InChIKey is UPTDGYBNJLMOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2NO/c14-9-5-11(16)8(4-12(9)17)13(19)3-7-1-2-18-6-10(7)15/h1-2,4-6H,3H2.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone?
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone has a molecular weight of 302.11 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone is sourced from PubChem (CID 112655306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).