5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine

C11H12ClFN4 — CID 79728001

IUPAC5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine
SMILESCCc1nc(CC)n(-c2ncc(Cl)cc2F)n1
InChIInChI=1S/C11H12ClFN4/c1-3-9-15-10(4-2)17(16-9)11-8(13)5-7(12)6-14-11/h5-6H,3-4H2,1-2H3
InChIKeyFXDGXHCULKNYON-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.58
Rot. Bonds3

About 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine

5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine (PubChem CID 79728001) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine.

Molecular Properties

Compound Name5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine
PubChem CID79728001
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine
SMILESCCc1nc(CC)n(-c2ncc(Cl)cc2F)n1
InChIInChI=1S/C11H12ClFN4/c1-3-9-15-10(4-2)17(16-9)11-8(13)5-7(12)6-14-11/h5-6H,3-4H2,1-2H3
InChIKeyFXDGXHCULKNYON-UHFFFAOYSA-N
XLogP2.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine?
The IUPAC name of 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine (CID 79728001) is 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine.
What is the SMILES notation for 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine?
The canonical SMILES for 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine is CCc1nc(CC)n(-c2ncc(Cl)cc2F)n1.
What is the InChIKey of 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine?
The InChIKey is FXDGXHCULKNYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-3-9-15-10(4-2)17(16-9)11-8(13)5-7(12)6-14-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine?
5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine has a molecular weight of 254.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine is sourced from PubChem (CID 79728001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).