(3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine

C10H11BrF3N3 — CID 68809063

IUPAC(3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Br)C1
InChIInChI=1S/C10H11BrF3N3/c11-8-3-6(10(12,13)14)4-16-9(8)17-2-1-7(15)5-17/h3-4,7H,1-2,5,15H2/t7-/m1/s1
InChIKeyZBXQRAOGOCHBSL-SSDOTTSWSA-N
MW310.12 g/mol
LogP2.40
Rot. Bonds1

About (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine

(3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 68809063) has the molecular formula C10H11BrF3N3 and a molecular weight of 310.12 g/mol. Its IUPAC name is (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
PubChem CID68809063
Molecular FormulaC10H11BrF3N3
Molecular Weight310.12 g/mol
Exact Mass309.01
IUPAC Name(3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Br)C1
InChIInChI=1S/C10H11BrF3N3/c11-8-3-6(10(12,13)14)4-16-9(8)17-2-1-7(15)5-17/h3-4,7H,1-2,5,15H2/t7-/m1/s1
InChIKeyZBXQRAOGOCHBSL-SSDOTTSWSA-N
XLogP2.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sb-705498
CID 9910486
1-(2-bromophenyl)-3-[(3R)-1-[3-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
CID 24768245
1-(2-Bromophenyl)-3-[(3S)-1-[5-(trifluoromethyl)pyridin-2-YL]pyrrolidin-3-YL]urea
CID 10137465
1-(2-Bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridyl]pyrrolidin-3-yl]urea
CID 57404073
3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
CID 44523004
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylpyridin-2-amine
CID 75379535
3-Bromo-5-(trifluoromethyl)pyridin-2-amine
CID 13064155
5-Bromo-3-(trifluoromethyl)pyridin-2-amine
CID 20525383
5-Bromo-2,3-dihydro-7-azaindole
CID 21964079
5-Bromo-4-(difluoromethyl)pyridin-2-amine
CID 117610417
1-(5-(Trifluoromethyl)pyridin-2-yl)piperidin-4-amine
CID 4778234
1-[3-Bromo-5-(trifluoromethyl)-2-pyridyl]piperazine hydrochloride
CID 166485525

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine (CID 68809063) is (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine is N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Br)C1.
What is the InChIKey of (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is ZBXQRAOGOCHBSL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11BrF3N3/c11-8-3-6(10(12,13)14)4-16-9(8)17-2-1-7(15)5-17/h3-4,7H,1-2,5,15H2/t7-/m1/s1.
What are the key properties of (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine?
(3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 310.12 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 68809063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).