3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane

C16H17BrF4N2 — CID 144927491

IUPAC3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane
SMILESCC.NCC(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrF4N2.C2H6/c15-8-1-4-13(21-7-8)14(18,19)11(6-20)10-3-2-9(16)5-12(10)17;1-2/h1-5,7,11H,6,20H2;1-2H3
InChIKeyBAJZCZLGFGBOOS-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.98
Rot. Bonds4

About 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane

3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane (PubChem CID 144927491) has the molecular formula C16H17BrF4N2 and a molecular weight of 393.22 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane
PubChem CID144927491
Molecular FormulaC16H17BrF4N2
Molecular Weight393.22 g/mol
Exact Mass392.05
IUPAC Name3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane
SMILESCC.NCC(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C14H11BrF4N2.C2H6/c15-8-1-4-13(21-7-8)14(18,19)11(6-20)10-3-2-9(16)5-12(10)17;1-2/h1-5,7,11H,6,20H2;1-2H3
InChIKeyBAJZCZLGFGBOOS-UHFFFAOYSA-N
XLogP4.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine
CID 144927611
2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol
CID 144927672
2-(2,4-dimethylphenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-amine
CID 144927260
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 118395266
(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol
CID 162596340
N,N'-diamino-N-[3-(5-benzyl-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropyl]methanimidamide
CID 137427057
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
CID 162192469
[(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane
CID 174313006
N,N'-diamino-N-[2-(2,4-difluorophenyl)-3,3-difluoro-3-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]methanimidamide
CID 144927630
5-bromo-2-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine
CID 141469309
N,N'-diamino-N-[3-[5-[5-(difluoromethyl)thiophen-2-yl]-2-pyridinyl]-2-(2,4-difluorophenyl)-3,3-difluoropropyl]methanimidamide
CID 137426998
N-amino-N'-[2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-morpholin-4-yl-2-pyridinyl)propyl]methanimidamide
CID 137427029

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane (CID 144927491) is 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane is CC.NCC(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane?
The InChIKey is BAJZCZLGFGBOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF4N2.C2H6/c15-8-1-4-13(21-7-8)14(18,19)11(6-20)10-3-2-9(16)5-12(10)17;1-2/h1-5,7,11H,6,20H2;1-2H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane?
3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane has a molecular weight of 393.22 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane is sourced from PubChem (CID 144927491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).