1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine

C13H10Br2F2N2 — CID 123767101

IUPAC1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br
InChIInChI=1S/C13H10Br2F2N2/c14-10-1-2-12(15)19-13(10)11(18)5-7-3-8(16)6-9(17)4-7/h1-4,6,11H,5,18H2
InChIKeyQTZBWPGHYZUOES-UHFFFAOYSA-N
MW392.04 g/mol
LogP4.13
Rot. Bonds3

About 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine

1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine (PubChem CID 123767101) has the molecular formula C13H10Br2F2N2 and a molecular weight of 392.04 g/mol. Its IUPAC name is 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine
PubChem CID123767101
Molecular FormulaC13H10Br2F2N2
Molecular Weight392.04 g/mol
Exact Mass389.92
IUPAC Name1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br
InChIInChI=1S/C13H10Br2F2N2/c14-10-1-2-12(15)19-13(10)11(18)5-7-3-8(16)6-9(17)4-7/h1-4,6,11H,5,18H2
InChIKeyQTZBWPGHYZUOES-UHFFFAOYSA-N
XLogP4.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.04
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 153435889
CID 153435889
1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine;2-(2-methylpropyl)-4-oxopentanoic acid
CID 168916186
2-[1-azido-2-(3,5-difluorophenyl)ethyl]-3,6-dibromopyridine
CID 151913651
4-[6-[1-amino-2-(3,5-difluorophenyl)ethyl]-5-bromo-2-pyridinyl]-2-methylbut-3-yn-2-ol;ethane
CID 144694190
1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine
CID 105412511
tert-butyl N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate
CID 90290190
2-(3-bromo-5-fluorophenyl)-1-isoquinolin-1-ylethanamine
CID 79700024
1-(3,6-dibromo-2-pyridinyl)-2-(2,4-difluoro-7-bicyclo[4.1.0]hepta-2,4-dienyl)ethanamine
CID 163677896
2-(3,5-difluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503055
2-(3,5-difluorophenyl)-1-(furan-2-yl)ethanamine
CID 63948382
(1S)-1-[3-bromo-5-(3-methylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethanamine
CID 151118445
2-(3-bromo-5-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 79699816

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine (CID 123767101) is 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine is NC(Cc1cc(F)cc(F)c1)c1nc(Br)ccc1Br.
What is the InChIKey of 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine?
The InChIKey is QTZBWPGHYZUOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2F2N2/c14-10-1-2-12(15)19-13(10)11(18)5-7-3-8(16)6-9(17)4-7/h1-4,6,11H,5,18H2.
What are the key properties of 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine?
1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine has a molecular weight of 392.04 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 123767101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).