5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine

C8H8BrF3N2 — CID 63226685

IUPAC5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESFC(F)(F)CCNc1ccc(Br)cn1
InChIInChI=1S/C8H8BrF3N2/c9-6-1-2-7(14-5-6)13-4-3-8(10,11)12/h1-2,5H,3-4H2,(H,13,14)
InChIKeyFDERMRJRJOLXSM-UHFFFAOYSA-N
MW269.06 g/mol
LogP3.21
Rot. Bonds3

About 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine

5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine (PubChem CID 63226685) has the molecular formula C8H8BrF3N2 and a molecular weight of 269.06 g/mol. Its IUPAC name is 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
PubChem CID63226685
Molecular FormulaC8H8BrF3N2
Molecular Weight269.06 g/mol
Exact Mass267.98
IUPAC Name5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESFC(F)(F)CCNc1ccc(Br)cn1
InChIInChI=1S/C8H8BrF3N2/c9-6-1-2-7(14-5-6)13-4-3-8(10,11)12/h1-2,5H,3-4H2,(H,13,14)
InChIKeyFDERMRJRJOLXSM-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.06
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
5-bromo-N-(2-ethylsulfinylethyl)pyridin-2-amine
CID 115642455
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
3-[(5-bromo-2-pyridinyl)amino]propyl hydrogen sulfite
CID 174853714
5-bromo-N-[3-(1,3-thiazol-2-yl)propyl]pyridin-2-amine
CID 75421859
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
CID 115486549

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine (CID 63226685) is 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine is FC(F)(F)CCNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The InChIKey is FDERMRJRJOLXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2/c9-6-1-2-7(14-5-6)13-4-3-8(10,11)12/h1-2,5H,3-4H2,(H,13,14).
What are the key properties of 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine has a molecular weight of 269.06 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3,3-trifluoropropyl)pyridin-2-amine is sourced from PubChem (CID 63226685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).