[2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine

C11H14F3N3 — CID 68585257

IUPAC[2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCC(C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-3-5-17(7-9)10-8(6-15)2-1-4-16-10/h1-2,4,9H,3,5-7,15H2
InChIKeyNLTNXOIZQMFNAH-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.93
Rot. Bonds2

About [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine

[2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine (PubChem CID 68585257) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine
PubChem CID68585257
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name[2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine
SMILESNCc1cccnc1N1CCC(C(F)(F)F)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-3-5-17(7-9)10-8(6-15)2-1-4-16-10/h1-2,4,9H,3,5-7,15H2
InChIKeyNLTNXOIZQMFNAH-UHFFFAOYSA-N
XLogP1.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine?
The IUPAC name of [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine (CID 68585257) is [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine is NCc1cccnc1N1CCC(C(F)(F)F)C1.
What is the InChIKey of [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine?
The InChIKey is NLTNXOIZQMFNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)9-3-5-17(7-9)10-8(6-15)2-1-4-16-10/h1-2,4,9H,3,5-7,15H2.
What are the key properties of [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine?
[2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine has a molecular weight of 245.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 68585257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).