1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone

C7H4Cl2F2N2O — CID 112574914

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
SMILESNc1ncc(Cl)cc1C(=O)C(F)(F)Cl
InChIInChI=1S/C7H4Cl2F2N2O/c8-3-1-4(6(12)13-2-3)5(14)7(9,10)11/h1-2H,(H2,12,13)
InChIKeyYITSOQWKRMWRDT-UHFFFAOYSA-N
MW241.02 g/mol
LogP2.33
Rot. Bonds2

About 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone

1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone (PubChem CID 112574914) has the molecular formula C7H4Cl2F2N2O and a molecular weight of 241.02 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
PubChem CID112574914
Molecular FormulaC7H4Cl2F2N2O
Molecular Weight241.02 g/mol
Exact Mass239.97
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
SMILESNc1ncc(Cl)cc1C(=O)C(F)(F)Cl
InChIInChI=1S/C7H4Cl2F2N2O/c8-3-1-4(6(12)13-2-3)5(14)7(9,10)11/h1-2H,(H2,12,13)
InChIKeyYITSOQWKRMWRDT-UHFFFAOYSA-N
XLogP2.33
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.02
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-chloro-3-pyridinyl)-2-(dimethylamino)-2-methylbutan-1-one
CID 79062827
1-(2-amino-5-chloro-3-pyridinyl)-2-(4-aminophenyl)-2-methylpropan-1-one
CID 116598749
1-(2-amino-5-chloro-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
CID 116747324
(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 81492506
1-(2-amino-5-chloro-3-pyridinyl)-2-methylprop-2-en-1-one
CID 103446437
(2-amino-5-chloro-3-pyridinyl)-(3-chloro-2-fluorophenyl)methanone
CID 64712250
(2-amino-5-chloro-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanone
CID 66425614
(2-amino-5-chloro-3-pyridinyl)-(2-bromo-5-fluorophenyl)methanone
CID 107923818
4-amino-1-(2-amino-5-chloro-3-pyridinyl)butan-1-one
CID 116553290
1-(2-amino-5-chloro-3-pyridinyl)-3-methylbut-2-en-1-one
CID 103455576
(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 116591815
1-(2-amino-5-chloro-3-pyridinyl)-2-tert-butylsulfanylethanone
CID 65133698

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone (CID 112574914) is 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone is Nc1ncc(Cl)cc1C(=O)C(F)(F)Cl.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone?
The InChIKey is YITSOQWKRMWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O/c8-3-1-4(6(12)13-2-3)5(14)7(9,10)11/h1-2H,(H2,12,13).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone?
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone has a molecular weight of 241.02 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone is sourced from PubChem (CID 112574914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).