6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine

C13H13BrF3N3 — CID 142788520

IUPAC6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine
SMILESNCC1=CC=C(N)CN1c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3N3/c14-8-1-4-12(11(5-8)13(15,16)17)20-7-9(19)2-3-10(20)6-18/h1-5H,6-7,18-19H2
InChIKeyRMSRKCOGEQBWGH-UHFFFAOYSA-N
MW348.17 g/mol
LogP2.97
Rot. Bonds2

About 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine

6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine (PubChem CID 142788520) has the molecular formula C13H13BrF3N3 and a molecular weight of 348.17 g/mol. Its IUPAC name is 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine.

Molecular Properties

Compound Name6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine
PubChem CID142788520
Molecular FormulaC13H13BrF3N3
Molecular Weight348.17 g/mol
Exact Mass347.02
IUPAC Name6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine
SMILESNCC1=CC=C(N)CN1c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3N3/c14-8-1-4-12(11(5-8)13(15,16)17)20-7-9(19)2-3-10(20)6-18/h1-5H,6-7,18-19H2
InChIKeyRMSRKCOGEQBWGH-UHFFFAOYSA-N
XLogP2.97
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine?
The IUPAC name of 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine (CID 142788520) is 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine.
What is the SMILES notation for 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine?
The canonical SMILES for 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine is NCC1=CC=C(N)CN1c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine?
The InChIKey is RMSRKCOGEQBWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3/c14-8-1-4-12(11(5-8)13(15,16)17)20-7-9(19)2-3-10(20)6-18/h1-5H,6-7,18-19H2.
What are the key properties of 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine?
6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine has a molecular weight of 348.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1-[4-bromo-2-(trifluoromethyl)phenyl]-2H-pyridin-3-amine is sourced from PubChem (CID 142788520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).