N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine

C10H12F3N3 — CID 122441469

IUPACN-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(N[C@@H]2CCNC2)c1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)7-1-4-15-9(5-7)16-8-2-3-14-6-8/h1,4-5,8,14H,2-3,6H2,(H,15,16)/t8-/m1/s1
InChIKeyQBBJNISBXGSHEU-MRVPVSSYSA-N
MW231.22 g/mol
LogP1.87
Rot. Bonds2

About N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine

N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 122441469) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID122441469
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC NameN-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(N[C@@H]2CCNC2)c1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)7-1-4-15-9(5-7)16-8-2-3-14-6-8/h1,4-5,8,14H,2-3,6H2,(H,15,16)/t8-/m1/s1
InChIKeyQBBJNISBXGSHEU-MRVPVSSYSA-N
XLogP1.87
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 122441469) is N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(N[C@@H]2CCNC2)c1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QBBJNISBXGSHEU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)7-1-4-15-9(5-7)16-8-2-3-14-6-8/h1,4-5,8,14H,2-3,6H2,(H,15,16)/t8-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 231.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 122441469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).