3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C9H9Br2F3N2 — CID 107490411

IUPAC3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESFC(F)(F)CN(CCBr)c1ncccc1Br
InChIInChI=1S/C9H9Br2F3N2/c10-3-5-16(6-9(12,13)14)8-7(11)2-1-4-15-8/h1-2,4H,3,5-6H2
InChIKeyPFEDKAJYKPWSKD-UHFFFAOYSA-N
MW361.99 g/mol
LogP3.61
Rot. Bonds4

About 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 107490411) has the molecular formula C9H9Br2F3N2 and a molecular weight of 361.99 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID107490411
Molecular FormulaC9H9Br2F3N2
Molecular Weight361.99 g/mol
Exact Mass359.91
IUPAC Name3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESFC(F)(F)CN(CCBr)c1ncccc1Br
InChIInChI=1S/C9H9Br2F3N2/c10-3-5-16(6-9(12,13)14)8-7(11)2-1-4-15-8/h1-2,4H,3,5-6H2
InChIKeyPFEDKAJYKPWSKD-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.99
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61374673
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine
CID 107490379
3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107490318
N-(2-bromoethyl)-3,5-difluoro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490362
N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494126
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489
N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494189
3-bromo-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447485
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 107489652
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490223
N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine
CID 80675173

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 107490411) is 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is FC(F)(F)CN(CCBr)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is PFEDKAJYKPWSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2F3N2/c10-3-5-16(6-9(12,13)14)8-7(11)2-1-4-15-8/h1-2,4H,3,5-6H2.
What are the key properties of 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 361.99 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 107490411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).