5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine

C12H8ClF2N — CID 170620232

IUPAC5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine
SMILESCc1cc(Cl)c(-c2ccc(F)nc2)cc1F
InChIInChI=1S/C12H8ClF2N/c1-7-4-10(13)9(5-11(7)14)8-2-3-12(15)16-6-8/h2-6H,1H3
InChIKeyMFIVTTHVOFKIBG-UHFFFAOYSA-N
MW239.65 g/mol
LogP3.99
Rot. Bonds1

About 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine

5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine (PubChem CID 170620232) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine.

Molecular Properties

Compound Name5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine
PubChem CID170620232
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC Name5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine
SMILESCc1cc(Cl)c(-c2ccc(F)nc2)cc1F
InChIInChI=1S/C12H8ClF2N/c1-7-4-10(13)9(5-11(7)14)8-2-3-12(15)16-6-8/h2-6H,1H3
InChIKeyMFIVTTHVOFKIBG-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(6-fluoro-3-pyridinyl)-5-methylaniline
CID 172564495
5-(2-chloro-5-fluoro-4-methylphenyl)-2-[(2,2-difluorocyclopropyl)methoxy]pyridine
CID 172564488
2-fluoro-5-(3,4,5-trichlorophenyl)pyridine
CID 133089947
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
CID 134626862
5-(2,4-dichlorophenyl)-2-methylpyridine
CID 57069565
2-fluoro-5-[4-(4-methylphenyl)thiophen-3-yl]pyridine
CID 21350387
5-(2-chloro-5-fluoro-4-methylphenyl)-1H-imidazole-2-carboxamide
CID 116884056
6-(2-chloro-5-fluoro-4-methylphenyl)-1H-pyrimidine-2-thione
CID 116900654
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
5-(2,3-difluorophenyl)-2-fluoropyridine
CID 133088992
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole
CID 116856670
6-(2-chloro-5-fluoro-4-methylphenyl)-1H-indazole-4-carboxylic acid
CID 166514835

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine?
The IUPAC name of 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine (CID 170620232) is 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine.
What is the SMILES notation for 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine?
The canonical SMILES for 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine is Cc1cc(Cl)c(-c2ccc(F)nc2)cc1F.
What is the InChIKey of 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine?
The InChIKey is MFIVTTHVOFKIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c1-7-4-10(13)9(5-11(7)14)8-2-3-12(15)16-6-8/h2-6H,1H3.
What are the key properties of 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine?
5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine has a molecular weight of 239.65 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine is sourced from PubChem (CID 170620232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).