2-chloro-1-(5-fluoro-3-pyridinyl)ethanone

C7H5ClFNO — CID 104786801

IUPAC2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(CCl)c1cncc(F)c1
InChIInChI=1S/C7H5ClFNO/c8-2-7(11)5-1-6(9)4-10-3-5/h1,3-4H,2H2
InChIKeyGONVOEKOJWYKRU-UHFFFAOYSA-N
MW173.57 g/mol
LogP1.64
Rot. Bonds2

About 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone

2-chloro-1-(5-fluoro-3-pyridinyl)ethanone (PubChem CID 104786801) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
PubChem CID104786801
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC Name2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
SMILESO=C(CCl)c1cncc(F)c1
InChIInChI=1S/C7H5ClFNO/c8-2-7(11)5-1-6(9)4-10-3-5/h1,3-4H,2H2
InChIKeyGONVOEKOJWYKRU-UHFFFAOYSA-N
XLogP1.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 160825157
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 66046590
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
1-(5-fluoro-3-pyridinyl)-3-methylbut-3-en-1-one
CID 105112516
3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
CID 105125350
chloro 5-fluoropyridine-3-carboxylate
CID 174465391
1-(5-fluoro-3-pyridinyl)undecan-1-one
CID 105091475
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105108598
2-(2-bromo-5-fluorophenyl)-1-(5-fluoro-3-pyridinyl)ethanone
CID 105090104
2-chloro-1-(3-fluoro-5-methylphenyl)ethanone
CID 91636154
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 66142157
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 65136460

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone?
The IUPAC name of 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone (CID 104786801) is 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone is O=C(CCl)c1cncc(F)c1.
What is the InChIKey of 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone?
The InChIKey is GONVOEKOJWYKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO/c8-2-7(11)5-1-6(9)4-10-3-5/h1,3-4H,2H2.
What are the key properties of 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone?
2-chloro-1-(5-fluoro-3-pyridinyl)ethanone has a molecular weight of 173.57 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 104786801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).