3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine

C8H8BrF3N2 — CID 130576837

IUPAC3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
SMILESNC(Cc1ncccc1Br)C(F)(F)F
InChIInChI=1S/C8H8BrF3N2/c9-5-2-1-3-14-6(5)4-7(13)8(10,11)12/h1-3,7H,4,13H2
InChIKeyFKSMTJZEHBXOOZ-UHFFFAOYSA-N
MW269.06 g/mol
LogP2.28
Rot. Bonds2

About 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine

3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine (PubChem CID 130576837) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
PubChem CID130576837
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
SMILESNC(Cc1ncccc1Br)C(F)(F)F
InChIInChI=1S/C8H8BrF3N2/c9-5-2-1-3-14-6(5)4-7(13)8(10,11)12/h1-3,7H,4,13H2
InChIKeyFKSMTJZEHBXOOZ-UHFFFAOYSA-N
XLogP2.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-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

1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237
4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589412
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110840
3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
CID 63203575
3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
3-bromo-2-(2-chloropentyl)pyridine
CID 63203121
(1S)-1-(2-bromo-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290353
2-(3-bromo-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 63353363
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine (CID 130576837) is 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine is NC(Cc1ncccc1Br)C(F)(F)F.
What is the InChIKey of 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is FKSMTJZEHBXOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c9-5-2-1-3-14-6(5)4-7(13)8(10,11)12/h1-3,7H,4,13H2.
What are the key properties of 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine?
3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 269.06 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 130576837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).