5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine

C7H8F3N3 — CID 55274382

IUPAC5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
SMILESNc1cncc([C@@H](N)C(F)(F)F)c1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6(12)4-1-5(11)3-13-2-4/h1-3,6H,11-12H2/t6-/m1/s1
InChIKeyPNCBRWHZHSQTLN-ZCFIWIBFSA-N
MW191.16 g/mol
LogP1.23
Rot. Bonds1

About 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine

5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine (PubChem CID 55274382) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
PubChem CID55274382
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
SMILESNc1cncc([C@@H](N)C(F)(F)F)c1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)6(12)4-1-5(11)3-13-2-4/h1-3,6H,11-12H2/t6-/m1/s1
InChIKeyPNCBRWHZHSQTLN-ZCFIWIBFSA-N
XLogP1.23
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine?
The IUPAC name of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine (CID 55274382) is 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine.
What is the SMILES notation for 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine?
The canonical SMILES for 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine is Nc1cncc([C@@H](N)C(F)(F)F)c1.
What is the InChIKey of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine?
The InChIKey is PNCBRWHZHSQTLN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)6(12)4-1-5(11)3-13-2-4/h1-3,6H,11-12H2/t6-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine?
5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine has a molecular weight of 191.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine is sourced from PubChem (CID 55274382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).