(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C11H11ClF3N3O — CID 116572851

IUPAC(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESNc1ncc(Cl)cc1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H11ClF3N3O/c12-6-3-7(9(16)18-4-6)8(19)10(11(13,14)15)1-2-17-5-10/h3-4,17H,1-2,5H2,(H2,16,18)
InChIKeyILQDALWCXSTSHA-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.04
Rot. Bonds2

About (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572851) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572851
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESNc1ncc(Cl)cc1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H11ClF3N3O/c12-6-3-7(9(16)18-4-6)8(19)10(11(13,14)15)1-2-17-5-10/h3-4,17H,1-2,5H2,(H2,16,18)
InChIKeyILQDALWCXSTSHA-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572851) is (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is Nc1ncc(Cl)cc1C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is ILQDALWCXSTSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c12-6-3-7(9(16)18-4-6)8(19)10(11(13,14)15)1-2-17-5-10/h3-4,17H,1-2,5H2,(H2,16,18).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 293.68 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).