2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide

C9H12BrN3O2 — CID 77069981

IUPAC2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
SMILESCOc1ccc(Br)c(NCC(N)=NO)c1
InChIInChI=1S/C9H12BrN3O2/c1-15-6-2-3-7(10)8(4-6)12-5-9(11)13-14/h2-4,12,14H,5H2,1H3,(H2,11,13)
InChIKeyNMKVVRVAMSCSSW-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide

2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide (PubChem CID 77069981) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
PubChem CID77069981
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide
SMILESCOc1ccc(Br)c(NCC(N)=NO)c1
InChIInChI=1S/C9H12BrN3O2/c1-15-6-2-3-7(10)8(4-6)12-5-9(11)13-14/h2-4,12,14H,5H2,1H3,(H2,11,13)
InChIKeyNMKVVRVAMSCSSW-UHFFFAOYSA-N
XLogP1.62
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide
CID 77069982
2-(2-bromo-5-chloroanilino)-N'-hydroxyethanimidamide
CID 81271015
4-(2-bromo-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77069992
2-(2-bromo-5-methoxyphenyl)-N'-hydroxyethanimidamide
CID 65323662
2,6-dibromo-4-[(2-bromo-5-methoxyanilino)methyl]phenol
CID 107740862
2-(2-bromo-5-methoxyanilino)-N'-hydroxybutanimidamide
CID 77069907
2-bromo-N-[(3,5-difluorophenyl)methyl]-5-methoxyaniline
CID 105403175
3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
CID 115872019
2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
CID 62401443
3-(2-bromo-4-methoxyphenoxy)-N'-hydroxypropanimidamide
CID 104707785
3-(2-bromo-5-methoxyanilino)-2,2-dimethylpropanoic acid
CID 79624596
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide (CID 77069981) is 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide is COc1ccc(Br)c(NCC(N)=NO)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide?
The InChIKey is NMKVVRVAMSCSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-15-6-2-3-7(10)8(4-6)12-5-9(11)13-14/h2-4,12,14H,5H2,1H3,(H2,11,13).
What are the key properties of 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide?
2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide has a molecular weight of 274.12 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyanilino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77069981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).