3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine

C13H13BrFN3 — CID 82809422

IUPAC3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CC(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H13BrFN3/c14-10-6-8(3-4-11(10)15)12(16)7-9-2-1-5-18-13(9)17/h1-6,12H,7,16H2,(H2,17,18)
InChIKeyZXQXSWAQFNMJHR-UHFFFAOYSA-N
MW310.17 g/mol
LogP2.81
Rot. Bonds3

About 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine

3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 82809422) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID82809422
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine
SMILESNc1ncccc1CC(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H13BrFN3/c14-10-6-8(3-4-11(10)15)12(16)7-9-2-1-5-18-13(9)17/h1-6,12H,7,16H2,(H2,17,18)
InChIKeyZXQXSWAQFNMJHR-UHFFFAOYSA-N
XLogP2.81
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]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-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 82809316
3-[2-amino-2-(3-bromo-4-methoxyphenyl)ethyl]pyridin-2-amine
CID 106950903
2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 81447980
2-(2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 63097555
2-(1,3-benzothiazol-2-yl)-1-(3-bromo-4-fluorophenyl)ethanamine
CID 82809666
3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 115567050
2-(2-amino-3-pyridinyl)-1-(3-bromo-5-fluorophenyl)ethanol
CID 66425032
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethanamine
CID 105020699
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643573
(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine (CID 82809422) is 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine is Nc1ncccc1CC(N)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is ZXQXSWAQFNMJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c14-10-6-8(3-4-11(10)15)12(16)7-9-2-1-5-18-13(9)17/h1-6,12H,7,16H2,(H2,17,18).
What are the key properties of 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine?
3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 310.17 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 82809422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).