2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine

C14H13BrF4N2O — CID 144927611

IUPAC2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine
SMILESCN.OC(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C13H8BrF4NO.CH5N/c14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16;1-2/h1-6,12,20H;2H2,1H3
InChIKeyADZGTASGLRVFMU-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.52
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine

2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine (PubChem CID 144927611) has the molecular formula C14H13BrF4N2O and a molecular weight of 381.17 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine
PubChem CID144927611
Molecular FormulaC14H13BrF4N2O
Molecular Weight381.17 g/mol
Exact Mass380.01
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine
SMILESCN.OC(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1
InChIInChI=1S/C13H8BrF4NO.CH5N/c14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16;1-2/h1-6,12,20H;2H2,1H3
InChIKeyADZGTASGLRVFMU-UHFFFAOYSA-N
XLogP3.52
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-difluorophenyl)-2,2-difluoro-2-(5-methyl-2-pyridinyl)ethanol
CID 162596340
3-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3,3-difluoropropan-1-amine;ethane
CID 144927491
2-(2,4-difluorophenyl)-3,3-difluoro-3-(5-methyl-2-pyridinyl)propan-1-ol
CID 144927672
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 118395266
1-(2,4-difluorophenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61086809
[(5-bromo-2-pyridinyl)-(2,4-difluorophenyl)methoxy]-tert-butyl-dimethylsilane
CID 174313006
(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-[[3-(2,4-difluorophenyl)oxiren-2-yl]-difluoromethyl]pyridine
CID 141469309
1-(5-bromo-2-pyridinyl)-2,2,2-trifluoroethane-1,1-diol
CID 71418868
5-bromo-2-(1,1-difluoroethyl)pyridine
CID 118395151
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine (CID 144927611) is 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine is CN.OC(c1ccc(F)cc1F)C(F)(F)c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine?
The InChIKey is ADZGTASGLRVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4NO.CH5N/c14-7-1-4-11(19-6-7)13(17,18)12(20)9-3-2-8(15)5-10(9)16;1-2/h1-6,12,20H;2H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine?
2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine has a molecular weight of 381.17 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(2,4-difluorophenyl)-2,2-difluoroethanol;methanamine is sourced from PubChem (CID 144927611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).