(3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol

C10H12F3N3O — CID 129320690

IUPAC(3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESNc1ccc(N2CC[C@](O)(C(F)(F)F)C2)nc1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)3-4-16(6-9)8-2-1-7(14)5-15-8/h1-2,5,17H,3-4,6,14H2/t9-/m1/s1
InChIKeyXHDWTDWAULVXDH-SECBINFHSA-N
MW247.22 g/mol
LogP1.17
Rot. Bonds1

About (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol

(3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 129320690) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID129320690
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name(3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESNc1ccc(N2CC[C@](O)(C(F)(F)F)C2)nc1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)3-4-16(6-9)8-2-1-7(14)5-15-8/h1-2,5,17H,3-4,6,14H2/t9-/m1/s1
InChIKeyXHDWTDWAULVXDH-SECBINFHSA-N
XLogP1.17
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-[6-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]azetidine-1-carbonyl]pyrrolidine-3-carboxamide
CID 175975119
1-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)azetidin-3-ol
CID 162745565
6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine
CID 121203411
6-(7-azaspiro[3.5]nonan-7-yl)pyridin-3-amine
CID 144600660
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
6-(6-oxa-2-azaspiro[4.5]decan-2-yl)pyridin-3-amine
CID 121202344
[4-(3-cyclopropyl-1,2,4-triazol-1-yl)piperidin-1-yl]-[3-[6-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]azetidin-1-yl]methanone
CID 166084280
6-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
CID 129320766
1-[2-(aminomethyl)-4-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737651
[3-[6-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]azetidin-1-yl]-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 175975203
1-[5-[5-[4-(2-aminopyrimidin-4-yl)anilino]-1-methyl-1,2,4-triazol-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 177157274
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[3-[6-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]azetidin-1-yl]methanone
CID 170774059

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 129320690) is (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol is Nc1ccc(N2CC[C@](O)(C(F)(F)F)C2)nc1.
What is the InChIKey of (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is XHDWTDWAULVXDH-SECBINFHSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9(17)3-4-16(6-9)8-2-1-7(14)5-15-8/h1-2,5,17H,3-4,6,14H2/t9-/m1/s1.
What are the key properties of (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
(3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 247.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-amino-2-pyridinyl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 129320690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).