2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine

C9H12F3N3 — CID 104740080

IUPAC2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine
SMILESNc1cccnc1CNCCC(F)(F)F
InChIInChI=1S/C9H12F3N3/c10-9(11,12)3-5-14-6-8-7(13)2-1-4-15-8/h1-2,4,14H,3,5-6,13H2
InChIKeyFISKTUUFEANESA-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.71
Rot. Bonds4

About 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine

2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine (PubChem CID 104740080) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine
PubChem CID104740080
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine
SMILESNc1cccnc1CNCCC(F)(F)F
InChIInChI=1S/C9H12F3N3/c10-9(11,12)3-5-14-6-8-7(13)2-1-4-15-8/h1-2,4,14H,3,5-6,13H2
InChIKeyFISKTUUFEANESA-UHFFFAOYSA-N
XLogP1.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine?
The IUPAC name of 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine (CID 104740080) is 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine.
What is the SMILES notation for 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine?
The canonical SMILES for 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine is Nc1cccnc1CNCCC(F)(F)F.
What is the InChIKey of 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine?
The InChIKey is FISKTUUFEANESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)3-5-14-6-8-7(13)2-1-4-15-8/h1-2,4,14H,3,5-6,13H2.
What are the key properties of 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine?
2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine has a molecular weight of 219.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-amine is sourced from PubChem (CID 104740080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).