(2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid

C7H5BrN2O3 — CID 175111598

IUPAC(2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid
SMILESO=C(O)/C(=N/O)c1ccc(Br)cn1
InChIInChI=1S/C7H5BrN2O3/c8-4-1-2-5(9-3-4)6(10-13)7(11)12/h1-3,13H,(H,11,12)/b10-6+
InChIKeyYWGJESAJJOQIQG-UXBLZVDNSA-N
MW245.03 g/mol
LogP1.11
Rot. Bonds2

About (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid

(2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid (PubChem CID 175111598) has the molecular formula C7H5BrN2O3 and a molecular weight of 245.03 g/mol. Its IUPAC name is (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid
PubChem CID175111598
Molecular FormulaC7H5BrN2O3
Molecular Weight245.03 g/mol
Exact Mass243.95
IUPAC Name(2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid
SMILESO=C(O)/C(=N/O)c1ccc(Br)cn1
InChIInChI=1S/C7H5BrN2O3/c8-4-1-2-5(9-3-4)6(10-13)7(11)12/h1-3,13H,(H,11,12)/b10-6+
InChIKeyYWGJESAJJOQIQG-UXBLZVDNSA-N
XLogP1.11
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromopyridine-2-carboxylic acid;hydrazine
CID 161359916
4-(5-bromo-2-pyridinyl)-2,4-dioxobutanoic acid
CID 151174213
N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide
CID 76978921
methyl 5-bromopyridine-2-carboxylate
CID 7016458
2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
CID 164562677
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-bromopyridine-2-carboxamide
CID 77038852
N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide
CID 77036604
5-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-2-carboxamide
CID 76979547
(5-bromo-2-pyridinyl)-(1,2-thiazol-5-yl)methanone
CID 130988850
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid?
The IUPAC name of (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid (CID 175111598) is (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid.
What is the SMILES notation for (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid?
The canonical SMILES for (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid is O=C(O)/C(=N/O)c1ccc(Br)cn1.
What is the InChIKey of (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid?
The InChIKey is YWGJESAJJOQIQG-UXBLZVDNSA-N. The full InChI is InChI=1S/C7H5BrN2O3/c8-4-1-2-5(9-3-4)6(10-13)7(11)12/h1-3,13H,(H,11,12)/b10-6+.
What are the key properties of (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid?
(2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid has a molecular weight of 245.03 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid is sourced from PubChem (CID 175111598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).