N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine

C10H12F3N3 — CID 94417648

IUPACN-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(N[C@@H]2CCNC2)n1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(16-8)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m1/s1
InChIKeyLPHBPAZWVKXDJG-SSDOTTSWSA-N
MW231.22 g/mol
LogP1.87
Rot. Bonds2

About N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine

N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 94417648) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID94417648
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC NameN-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(N[C@@H]2CCNC2)n1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(16-8)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m1/s1
InChIKeyLPHBPAZWVKXDJG-SSDOTTSWSA-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]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine (CID 94417648) is N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(N[C@@H]2CCNC2)n1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LPHBPAZWVKXDJG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(16-8)15-7-4-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)/t7-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]-6-(trifluoromethyl)pyridin-2-amine?
N-[(3R)-pyrrolidin-3-yl]-6-(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]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 94417648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).