3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine

C14H15ClF3N5 — CID 42956348

IUPAC3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCn1cnnc1C1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H15ClF3N5/c1-22-8-20-21-12(22)9-3-2-4-23(7-9)13-11(15)5-10(6-19-13)14(16,17)18/h5-6,8-9H,2-4,7H2,1H3
InChIKeyFBWBPNKGAGORRR-UHFFFAOYSA-N
MW345.76 g/mol
LogP3.27
Rot. Bonds2

About 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine

3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 42956348) has the molecular formula C14H15ClF3N5 and a molecular weight of 345.76 g/mol. Its IUPAC name is 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID42956348
Molecular FormulaC14H15ClF3N5
Molecular Weight345.76 g/mol
Exact Mass345.10
IUPAC Name3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESCn1cnnc1C1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C14H15ClF3N5/c1-22-8-20-21-12(22)9-3-2-4-23(7-9)13-11(15)5-10(6-19-13)14(16,17)18/h5-6,8-9H,2-4,7H2,1H3
InChIKeyFBWBPNKGAGORRR-UHFFFAOYSA-N
XLogP3.27
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 42956348) is 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine is Cn1cnnc1C1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is FBWBPNKGAGORRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N5/c1-22-8-20-21-12(22)9-3-2-4-23(7-9)13-11(15)5-10(6-19-13)14(16,17)18/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 345.76 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 42956348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).