(2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride

C5H3BrClNOS — CID 106892123

IUPAC(2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride
SMILESO/N=C(/Cl)c1sccc1Br
InChIInChI=1S/C5H3BrClNOS/c6-3-1-2-10-4(3)5(7)8-9/h1-2,9H/b8-5+
InChIKeyYSKBAOHPGZLQSO-VMPITWQZSA-N
MW240.51 g/mol
LogP2.89
Rot. Bonds1

About (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride

(2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride (PubChem CID 106892123) has the molecular formula C5H3BrClNOS and a molecular weight of 240.51 g/mol. Its IUPAC name is (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride.

Molecular Properties

Compound Name(2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride
PubChem CID106892123
Molecular FormulaC5H3BrClNOS
Molecular Weight240.51 g/mol
Exact Mass238.88
IUPAC Name(2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride
SMILESO/N=C(/Cl)c1sccc1Br
InChIInChI=1S/C5H3BrClNOS/c6-3-1-2-10-4(3)5(7)8-9/h1-2,9H/b8-5+
InChIKeyYSKBAOHPGZLQSO-VMPITWQZSA-N
XLogP2.89
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-bromothiophene-2-carbonyl chloride
CID 2797569
N-[(3-bromothiophen-2-yl)-piperazin-1-ylmethylidene]hydroxylamine
CID 139993864
1-(3-bromothiophene-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038674
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756
(2Z)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride;tert-butyl 4-[(Z)-C-(3-bromothiophen-2-yl)-N-hydroxycarbonimidoyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;oxolane
CID 172935047
(3-bromothiophen-2-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 130616054
3-bromo-N-(2,4,6-trichlorophenyl)thiophene-2-carboxamide
CID 63799545
3-bromo-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 77007126
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381
1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
(3-bromothiophen-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 63797030
3-bromo-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 47220417

Frequently Asked Questions

What is the IUPAC name of (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride?
The IUPAC name of (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride (CID 106892123) is (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride.
What is the SMILES notation for (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride?
The canonical SMILES for (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride is O/N=C(/Cl)c1sccc1Br.
What is the InChIKey of (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride?
The InChIKey is YSKBAOHPGZLQSO-VMPITWQZSA-N. The full InChI is InChI=1S/C5H3BrClNOS/c6-3-1-2-10-4(3)5(7)8-9/h1-2,9H/b8-5+.
What are the key properties of (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride?
(2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride has a molecular weight of 240.51 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-bromo-N-hydroxythiophene-2-carboximidoyl chloride is sourced from PubChem (CID 106892123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).