(2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone

C12H5ClF3NO — CID 112756059

IUPAC(2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone
SMILESO=C(c1cc(F)ncc1F)c1c(F)cccc1Cl
InChIInChI=1S/C12H5ClF3NO/c13-7-2-1-3-8(14)11(7)12(18)6-4-10(16)17-5-9(6)15/h1-5H
InChIKeyVBJXNRLHZIWAKV-UHFFFAOYSA-N
MW271.63 g/mol
LogP3.38
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone

(2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone (PubChem CID 112756059) has the molecular formula C12H5ClF3NO and a molecular weight of 271.63 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone
PubChem CID112756059
Molecular FormulaC12H5ClF3NO
Molecular Weight271.63 g/mol
Exact Mass271.00
IUPAC Name(2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone
SMILESO=C(c1cc(F)ncc1F)c1c(F)cccc1Cl
InChIInChI=1S/C12H5ClF3NO/c13-7-2-1-3-8(14)11(7)12(18)6-4-10(16)17-5-9(6)15/h1-5H
InChIKeyVBJXNRLHZIWAKV-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 53.38
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

(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338532
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
2-chloro-6-fluorobenzenecarbothioyl chloride
CID 135378581
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029
(3-bromo-4-fluorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 79736530
(3,4-dichlorophenyl)-(2,6-difluorophenyl)methanone
CID 43167216
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanone
CID 115800741
6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813620
(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
CID 115481855

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone (CID 112756059) is (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone is O=C(c1cc(F)ncc1F)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone?
The InChIKey is VBJXNRLHZIWAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF3NO/c13-7-2-1-3-8(14)11(7)12(18)6-4-10(16)17-5-9(6)15/h1-5H.
What are the key properties of (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone?
(2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone has a molecular weight of 271.63 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2,5-difluoro-4-pyridinyl)methanone is sourced from PubChem (CID 112756059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).