2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one

C14H9BrF2N2O2 — CID 143384692

IUPAC2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one
SMILESC=C(C(=O)c1c(F)ccc(O)c1F)c1cc(Br)cnc1N
InChIInChI=1S/C14H9BrF2N2O2/c1-6(8-4-7(15)5-19-14(8)18)13(21)11-9(16)2-3-10(20)12(11)17/h2-5,20H,1H2,(H2,18,19)
InChIKeyUJQVHDKXIJBKIK-UHFFFAOYSA-N
MW355.14 g/mol
LogP3.31
Rot. Bonds3

About 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one

2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one (PubChem CID 143384692) has the molecular formula C14H9BrF2N2O2 and a molecular weight of 355.14 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one
PubChem CID143384692
Molecular FormulaC14H9BrF2N2O2
Molecular Weight355.14 g/mol
Exact Mass353.98
IUPAC Name2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one
SMILESC=C(C(=O)c1c(F)ccc(O)c1F)c1cc(Br)cnc1N
InChIInChI=1S/C14H9BrF2N2O2/c1-6(8-4-7(15)5-19-14(8)18)13(21)11-9(16)2-3-10(20)12(11)17/h2-5,20H,1H2,(H2,18,19)
InChIKeyUJQVHDKXIJBKIK-UHFFFAOYSA-N
XLogP3.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.14
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 58086673
2-amino-5-bromo-N-(2,5-difluorobenzoyl)pyridine-3-carbohydrazide
CID 175314264
5-bromo-3-[1-(6-fluoro-3-pyridinyl)ethenyl]pyridin-2-amine
CID 143178773
2-amino-5-bromo-N-(4-bromo-3-fluorophenyl)pyridine-3-carboxamide
CID 65437608
2-amino-5-bromo-N-(2-bromo-4-chlorophenyl)pyridine-3-carboxamide
CID 81275368
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
[amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium
CID 147829128
4-(2-amino-5-bromo-3-pyridinyl)-2,6-difluorobenzoic acid
CID 118054629
2-amino-5-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62979099
2-amino-5-bromo-N'-(2,6-dichlorobenzoyl)pyridine-3-carbohydrazide
CID 118110158
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one (CID 143384692) is 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one is C=C(C(=O)c1c(F)ccc(O)c1F)c1cc(Br)cnc1N.
What is the InChIKey of 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is UJQVHDKXIJBKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2N2O2/c1-6(8-4-7(15)5-19-14(8)18)13(21)11-9(16)2-3-10(20)12(11)17/h2-5,20H,1H2,(H2,18,19).
What are the key properties of 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one?
2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 355.14 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-3-pyridinyl)-1-(2,6-difluoro-3-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 143384692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).