(4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate

C7H5BrClFN2O2 — CID 174673092

IUPAC(4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate
SMILESCC(=O)Oc1nc(Cl)c(F)c(N)c1Br
InChIInChI=1S/C7H5BrClFN2O2/c1-2(13)14-7-3(8)5(11)4(10)6(9)12-7/h1H3,(H2,11,12)
InChIKeySZOSCBISHIADSC-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.14
Rot. Bonds1

About (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate

(4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate (PubChem CID 174673092) has the molecular formula C7H5BrClFN2O2 and a molecular weight of 283.48 g/mol. Its IUPAC name is (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate.

Molecular Properties

Compound Name(4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate
PubChem CID174673092
Molecular FormulaC7H5BrClFN2O2
Molecular Weight283.48 g/mol
Exact Mass281.92
IUPAC Name(4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate
SMILESCC(=O)Oc1nc(Cl)c(F)c(N)c1Br
InChIInChI=1S/C7H5BrClFN2O2/c1-2(13)14-7-3(8)5(11)4(10)6(9)12-7/h1H3,(H2,11,12)
InChIKeySZOSCBISHIADSC-UHFFFAOYSA-N
XLogP2.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-4-bromo-1H-pyrazol-3-yl) acetate
CID 174780000
(6-amino-5-chloro-2-cyclopropylpyrimidin-4-yl) acetate
CID 174617589
(6-amino-5-bromo-3-methyl-2-pyridinyl) acetate
CID 174663207
(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177802
[5-chloro-3,6-di(propan-2-yl)pyrazin-2-yl] acetate
CID 15914213
2-chloro-3-fluoro-5,6-dimethylpyridin-4-amine;ethane
CID 177008253
cyanomethyl 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylate
CID 146447150
methyl 4-amino-2-(4-amino-5-bromo-6-chloro-3-methoxycarbonyl-2-pyridinyl)-5-bromo-6-chloropyridine-3-carboxylate
CID 177042841
(2-chlorocyclobuten-1-yl) acetate
CID 19887274
(6-chloro-3-iodo-2-pyridinyl) acetate
CID 154051084
(2-amino-6-chloro-3-pyridinyl) acetate
CID 143445346
methyl 3-bromo-6-chloro-4-(cyclopropylmethylamino)-5-fluoropyridine-2-carboxylate
CID 87342357

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate?
The IUPAC name of (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate (CID 174673092) is (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate.
What is the SMILES notation for (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate?
The canonical SMILES for (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate is CC(=O)Oc1nc(Cl)c(F)c(N)c1Br.
What is the InChIKey of (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate?
The InChIKey is SZOSCBISHIADSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFN2O2/c1-2(13)14-7-3(8)5(11)4(10)6(9)12-7/h1H3,(H2,11,12).
What are the key properties of (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate?
(4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate has a molecular weight of 283.48 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromo-6-chloro-5-fluoro-2-pyridinyl) acetate is sourced from PubChem (CID 174673092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).