3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine

C15H11ClF5N — CID 155385706

IUPAC3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine
SMILESCC(F)(F)c1ncc(-c2ccc(F)c(C(F)F)c2)cc1CCl
InChIInChI=1S/C15H11ClF5N/c1-15(20,21)13-9(6-16)4-10(7-22-13)8-2-3-12(17)11(5-8)14(18)19/h2-5,7,14H,6H2,1H3
InChIKeyPLFMKMIHRWFVPU-UHFFFAOYSA-N
MW335.70 g/mol
LogP5.68
Rot. Bonds4

About 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine

3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine (PubChem CID 155385706) has the molecular formula C15H11ClF5N and a molecular weight of 335.70 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine
PubChem CID155385706
Molecular FormulaC15H11ClF5N
Molecular Weight335.70 g/mol
Exact Mass335.05
IUPAC Name3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine
SMILESCC(F)(F)c1ncc(-c2ccc(F)c(C(F)F)c2)cc1CCl
InChIInChI=1S/C15H11ClF5N/c1-15(20,21)13-9(6-16)4-10(7-22-13)8-2-3-12(17)11(5-8)14(18)19/h2-5,7,14H,6H2,1H3
InChIKeyPLFMKMIHRWFVPU-UHFFFAOYSA-N
XLogP5.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.70
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine;hydrochloride
CID 155385696
5-[3-(difluoromethyl)-4-fluorophenyl]-2-methylpyridine
CID 175730479
4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134683659
ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate
CID 155385717
1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol
CID 155386146
6-[3-(difluoromethyl)-4-fluorophenyl]-3-methyl-1H-imidazo[4,5-b]pyridin-2-one
CID 134489921
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetaldehyde
CID 175366787
4-(chloromethyl)-5-(difluoromethyl)-2-fluoropyridine
CID 130096360
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine
CID 155386056
3-[[5-[3-(difluoromethyl)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155385849
5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylic acid
CID 175730512
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155388658

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine (CID 155385706) is 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine is CC(F)(F)c1ncc(-c2ccc(F)c(C(F)F)c2)cc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine?
The InChIKey is PLFMKMIHRWFVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF5N/c1-15(20,21)13-9(6-16)4-10(7-22-13)8-2-3-12(17)11(5-8)14(18)19/h2-5,7,14H,6H2,1H3.
What are the key properties of 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine?
3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine has a molecular weight of 335.70 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(1,1-difluoroethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine is sourced from PubChem (CID 155385706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).