3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine

C17H14Cl2F2N4O — CID 58243493

IUPAC3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2ccncc2Cl)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F
InChIInChI=1S/C17H14Cl2F2N4O/c1-17(2,26-14-12(20)6-9(18)7-13(14)21)16-24-23-15(25(16)3)10-4-5-22-8-11(10)19/h4-8H,1-3H3
InChIKeyWWDCTCZKMFIYHF-UHFFFAOYSA-N
MW399.23 g/mol
LogP4.78
Rot. Bonds4

About 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine

3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 58243493) has the molecular formula C17H14Cl2F2N4O and a molecular weight of 399.23 g/mol. Its IUPAC name is 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID58243493
Molecular FormulaC17H14Cl2F2N4O
Molecular Weight399.23 g/mol
Exact Mass398.05
IUPAC Name3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2ccncc2Cl)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F
InChIInChI=1S/C17H14Cl2F2N4O/c1-17(2,26-14-12(20)6-9(18)7-13(14)21)16-24-23-15(25(16)3)10-4-5-22-8-11(10)19/h4-8H,1-3H3
InChIKeyWWDCTCZKMFIYHF-UHFFFAOYSA-N
XLogP4.78
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-{[2-(2-chlorophenoxy)ethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)pyridine
CID 2105283
4-[5-[2-(3-Chlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2114155
4-[5-[2-(4-Chlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 2119780
4-{3-[(3-chlorophenoxy)methyl]-1H-1,2,4-triazol-5-yl}pyridine
CID 2766553
4-{3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-5-yl}pyridine
CID 2766558
Pyridine, 3-(5-((4-chloro-3-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-
CID 3072163
Pyridine, 4-(5-((4-chloro-3-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl)-
CID 3072164
3-(2-chlorophenyl)-5-[2-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1-methyl-1H-1,2,4-triazole
CID 21463627
3-(2-chloro-6-fluorophenyl)-5-[2-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-1-methyl-1H-1,2,4-triazole
CID 21463687
4-[5-[2-(4-Chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)pyridine
CID 44601375
5-(4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-benzyl)-3-(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazole
CID 53694765
5-{4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-alpha-fluorobenzyl}-3-(2-chloro-6-fluorophenyl)-1 methyl-1H-1,2,4-triazole
CID 54075328

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine (CID 58243493) is 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine is Cn1c(-c2ccncc2Cl)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F.
What is the InChIKey of 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is WWDCTCZKMFIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F2N4O/c1-17(2,26-14-12(20)6-9(18)7-13(14)21)16-24-23-15(25(16)3)10-4-5-22-8-11(10)19/h4-8H,1-3H3.
What are the key properties of 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine?
3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 399.23 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 58243493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).