2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine

C7H8BrF3N4 — CID 142449959

IUPAC2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine
SMILESNc1ccc(Br)nc1N(N)CC(F)(F)F
InChIInChI=1S/C7H8BrF3N4/c8-5-2-1-4(12)6(14-5)15(13)3-7(9,10)11/h1-2H,3,12-13H2
InChIKeyJBPHZCDKCWODRQ-UHFFFAOYSA-N
MW285.07 g/mol
LogP1.67
Rot. Bonds2

About 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine

2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine (PubChem CID 142449959) has the molecular formula C7H8BrF3N4 and a molecular weight of 285.07 g/mol. Its IUPAC name is 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine.

Molecular Properties

Compound Name2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine
PubChem CID142449959
Molecular FormulaC7H8BrF3N4
Molecular Weight285.07 g/mol
Exact Mass283.99
IUPAC Name2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine
SMILESNc1ccc(Br)nc1N(N)CC(F)(F)F
InChIInChI=1S/C7H8BrF3N4/c8-5-2-1-4(12)6(14-5)15(13)3-7(9,10)11/h1-2H,3,12-13H2
InChIKeyJBPHZCDKCWODRQ-UHFFFAOYSA-N
XLogP1.67
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.07
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine?
The IUPAC name of 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine (CID 142449959) is 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine.
What is the SMILES notation for 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine?
The canonical SMILES for 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine is Nc1ccc(Br)nc1N(N)CC(F)(F)F.
What is the InChIKey of 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine?
The InChIKey is JBPHZCDKCWODRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3N4/c8-5-2-1-4(12)6(14-5)15(13)3-7(9,10)11/h1-2H,3,12-13H2.
What are the key properties of 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine?
2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine has a molecular weight of 285.07 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(2,2,2-trifluoroethyl)amino]-6-bromopyridin-3-amine is sourced from PubChem (CID 142449959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).