1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine

C13H17ClF3N3 — CID 102716081

IUPAC1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CC1N(C)C
InChIInChI=1S/C13H17ClF3N3/c1-8-6-20(7-10(8)19(2)3)12-5-9(13(15,16)17)4-11(14)18-12/h4-5,8,10H,6-7H2,1-3H3
InChIKeyUNWAFRSYGADRBI-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.14
Rot. Bonds2

About 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 102716081) has the molecular formula C13H17ClF3N3 and a molecular weight of 307.75 g/mol. Its IUPAC name is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID102716081
Molecular FormulaC13H17ClF3N3
Molecular Weight307.75 g/mol
Exact Mass307.11
IUPAC Name1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CC1N(C)C
InChIInChI=1S/C13H17ClF3N3/c1-8-6-20(7-10(8)19(2)3)12-5-9(13(15,16)17)4-11(14)18-12/h4-5,8,10H,6-7H2,1-3H3
InChIKeyUNWAFRSYGADRBI-UHFFFAOYSA-N
XLogP3.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 102716081) is 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(c2cc(C(F)(F)F)cc(Cl)n2)CC1N(C)C.
What is the InChIKey of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is UNWAFRSYGADRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3/c1-8-6-20(7-10(8)19(2)3)12-5-9(13(15,16)17)4-11(14)18-12/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 307.75 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 102716081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).