2-bromo-3-(trifluoromethyl)pyridin-4-amine

C6H4BrF3N2 — CID 118846163

IUPAC2-bromo-3-(trifluoromethyl)pyridin-4-amine
SMILESNc1ccnc(Br)c1C(F)(F)F
InChIInChI=1S/C6H4BrF3N2/c7-5-4(6(8,9)10)3(11)1-2-12-5/h1-2H,(H2,11,12)
InChIKeyPGFCNIKVMHOPGO-UHFFFAOYSA-N
MW241.01 g/mol
LogP2.45
Rot. Bonds

About 2-bromo-3-(trifluoromethyl)pyridin-4-amine

2-bromo-3-(trifluoromethyl)pyridin-4-amine (PubChem CID 118846163) has the molecular formula C6H4BrF3N2 and a molecular weight of 241.01 g/mol. Its IUPAC name is 2-bromo-3-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-bromo-3-(trifluoromethyl)pyridin-4-amine
PubChem CID118846163
Molecular FormulaC6H4BrF3N2
Molecular Weight241.01 g/mol
Exact Mass239.95
IUPAC Name2-bromo-3-(trifluoromethyl)pyridin-4-amine
SMILESNc1ccnc(Br)c1C(F)(F)F
InChIInChI=1S/C6H4BrF3N2/c7-5-4(6(8,9)10)3(11)1-2-12-5/h1-2H,(H2,11,12)
InChIKeyPGFCNIKVMHOPGO-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 2-bromo-3-(trifluoromethyl)pyridin-4-amine (CID 118846163) is 2-bromo-3-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 2-bromo-3-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 2-bromo-3-(trifluoromethyl)pyridin-4-amine is Nc1ccnc(Br)c1C(F)(F)F.
What is the InChIKey of 2-bromo-3-(trifluoromethyl)pyridin-4-amine?
The InChIKey is PGFCNIKVMHOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N2/c7-5-4(6(8,9)10)3(11)1-2-12-5/h1-2H,(H2,11,12).
What are the key properties of 2-bromo-3-(trifluoromethyl)pyridin-4-amine?
2-bromo-3-(trifluoromethyl)pyridin-4-amine has a molecular weight of 241.01 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 118846163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).