2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine

C10H11ClF3N3 — CID 142790294

IUPAC2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(C(F)(F)F)cc(N2CCCC2)nc1Cl
InChIInChI=1S/C10H11ClF3N3/c11-9-8(15)6(10(12,13)14)5-7(16-9)17-3-1-2-4-17/h5H,1-4,15H2
InChIKeyGITIDQBEKKTSTF-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.94
Rot. Bonds1

About 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine

2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine (PubChem CID 142790294) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
PubChem CID142790294
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine
SMILESNc1c(C(F)(F)F)cc(N2CCCC2)nc1Cl
InChIInChI=1S/C10H11ClF3N3/c11-9-8(15)6(10(12,13)14)5-7(16-9)17-3-1-2-4-17/h5H,1-4,15H2
InChIKeyGITIDQBEKKTSTF-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
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 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine (CID 142790294) is 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine is Nc1c(C(F)(F)F)cc(N2CCCC2)nc1Cl.
What is the InChIKey of 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
The InChIKey is GITIDQBEKKTSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c11-9-8(15)6(10(12,13)14)5-7(16-9)17-3-1-2-4-17/h5H,1-4,15H2.
What are the key properties of 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine?
2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine has a molecular weight of 265.67 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 142790294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).