2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine

C13H9ClF3N — CID 170520352

IUPAC2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine
SMILESCCc1ccnc(-c2cc(Cl)c(F)cc2F)c1F
InChIInChI=1S/C13H9ClF3N/c1-2-7-3-4-18-13(12(7)17)8-5-9(14)11(16)6-10(8)15/h3-6H,2H2,1H3
InChIKeyDUEBDQRJIQZMQZ-UHFFFAOYSA-N
MW271.67 g/mol
LogP4.38
Rot. Bonds2

About 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine

2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine (PubChem CID 170520352) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine
PubChem CID170520352
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine
SMILESCCc1ccnc(-c2cc(Cl)c(F)cc2F)c1F
InChIInChI=1S/C13H9ClF3N/c1-2-7-3-4-18-13(12(7)17)8-5-9(14)11(16)6-10(8)15/h3-6H,2H2,1H3
InChIKeyDUEBDQRJIQZMQZ-UHFFFAOYSA-N
XLogP4.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-(5-chloro-2,4-difluorophenyl)-3-fluoro-4-pyridinyl]cyclopropane-1-carboxylate
CID 169264966
[2-(2,4-dichlorophenyl)-3-fluoro-4-pyridinyl]methanol
CID 118813716
2-bromo-4-ethyl-3-fluoropyridine
CID 130138685
2-(5-chloro-2,4-difluorophenyl)-3-pyridin-2-ylpyridine
CID 90095092
1-[2-(3-chloro-2,4-difluorophenyl)-3-fluoro-4-pyridinyl]propan-2-one;ethane
CID 169264773
1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene
CID 118336787
2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637597
5-chloro-2-(3-fluoro-4-methyl-2-pyridinyl)phenol
CID 177205307
2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
CID 114042760
(1R)-1-[6-(5-chloro-2,4-difluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-1-phenylpropan-1-ol
CID 170378280
[3-chloro-2-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 134625713
4-(4-chloro-2,5-difluorophenyl)pyridine-3-carboxylic acid
CID 86710327

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine?
The IUPAC name of 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine (CID 170520352) is 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine.
What is the SMILES notation for 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine?
The canonical SMILES for 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine is CCc1ccnc(-c2cc(Cl)c(F)cc2F)c1F.
What is the InChIKey of 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine?
The InChIKey is DUEBDQRJIQZMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c1-2-7-3-4-18-13(12(7)17)8-5-9(14)11(16)6-10(8)15/h3-6H,2H2,1H3.
What are the key properties of 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine?
2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine has a molecular weight of 271.67 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-difluorophenyl)-4-ethyl-3-fluoropyridine is sourced from PubChem (CID 170520352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).