1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone

C8H6ClF2NO — CID 119054405

IUPAC1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Cl)nc1C(F)F
InChIInChI=1S/C8H6ClF2NO/c1-4(13)5-2-3-6(9)12-7(5)8(10)11/h2-3,8H,1H3
InChIKeyUPOFMOHYDFADRD-UHFFFAOYSA-N
MW205.59 g/mol
LogP2.88
Rot. Bonds2

About 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone

1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone (PubChem CID 119054405) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone
PubChem CID119054405
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Cl)nc1C(F)F
InChIInChI=1S/C8H6ClF2NO/c1-4(13)5-2-3-6(9)12-7(5)8(10)11/h2-3,8H,1H3
InChIKeyUPOFMOHYDFADRD-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone
CID 146273688
1-[2-(difluoromethyl)-3-pyridinyl]ethanone;ethane
CID 159616967
1-[3-chloro-2-(difluoromethyl)-4-fluorophenyl]ethanone
CID 171005026
[6-chloro-2-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095492
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine
CID 130095515
2-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118815134
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
3-chloro-2-(difluoromethyl)-6-methylpyridine-4-carbonyl chloride
CID 130074502
diethyl 2-(3,6-dichloro-2-pyridinyl)propanedioate
CID 163388878
1-[3-chloro-2-(difluoromethyl)-4-(trifluoromethyl)phenyl]ethanone
CID 171009956
1-[3-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668959

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone (CID 119054405) is 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(Cl)nc1C(F)F.
What is the InChIKey of 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is UPOFMOHYDFADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c1-4(13)5-2-3-6(9)12-7(5)8(10)11/h2-3,8H,1H3.
What are the key properties of 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone?
1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 205.59 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(difluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 119054405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).