4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine

C19H23F3N2O — CID 123426123

IUPAC4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine
SMILESCc1cc(-c2cc(C(F)F)c(OCC(C)CC(C)C)cn2)c(F)cn1
InChIInChI=1S/C19H23F3N2O/c1-11(2)5-12(3)10-25-18-9-24-17(7-15(18)19(21)22)14-6-13(4)23-8-16(14)20/h6-9,11-12,19H,5,10H2,1-4H3
InChIKeyYSNRLOBGKSNWIB-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.59
Rot. Bonds7

About 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine

4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine (PubChem CID 123426123) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine
PubChem CID123426123
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine
SMILESCc1cc(-c2cc(C(F)F)c(OCC(C)CC(C)C)cn2)c(F)cn1
InChIInChI=1S/C19H23F3N2O/c1-11(2)5-12(3)10-25-18-9-24-17(7-15(18)19(21)22)14-6-13(4)23-8-16(14)20/h6-9,11-12,19H,5,10H2,1-4H3
InChIKeyYSNRLOBGKSNWIB-UHFFFAOYSA-N
XLogP5.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-[[6-(2-chloro-5-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135282879
ethane;methyl N-[4-[4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-pyridinyl]-2-pyridinyl]carbamate
CID 145286356
4-[5-(2,4-dimethylpentoxy)-4-methyl-2-pyridinyl]-6-fluoroquinoline
CID 144940024
2-bromo-4-(difluoromethyl)-5-[(2R)-2-(fluoromethyl)-4-methylpentoxy]pyridine
CID 151033657
6-chloro-4-[5-[(2S)-2,4-dimethylpentoxy]-4-methyl-2-pyridinyl]quinoline
CID 157136865
5-[[6-bromo-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419804
4-[4-[(2S)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-3-fluoropyridine
CID 150539730
2-chloro-4-[4-(difluoromethyl)-5-propoxy-2-pyridinyl]-3-fluoropyridine
CID 123703407
4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine
CID 150370518
4-[4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridinyl]quinoline
CID 151386101
(2R)-1-[[6-(2-chloro-3-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429442
1-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]ethanol
CID 114200314

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine?
The IUPAC name of 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine (CID 123426123) is 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine?
The canonical SMILES for 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine is Cc1cc(-c2cc(C(F)F)c(OCC(C)CC(C)C)cn2)c(F)cn1.
What is the InChIKey of 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine?
The InChIKey is YSNRLOBGKSNWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-11(2)5-12(3)10-25-18-9-24-17(7-15(18)19(21)22)14-6-13(4)23-8-16(14)20/h6-9,11-12,19H,5,10H2,1-4H3.
What are the key properties of 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine?
4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine has a molecular weight of 352.40 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(2,4-dimethylpentoxy)-2-(5-fluoro-2-methyl-4-pyridinyl)pyridine is sourced from PubChem (CID 123426123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).