2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate

C10H12BrNO3 — CID 107873761

IUPAC2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate
SMILESCc1c(N)cc(Br)cc1C(=O)OCCO
InChIInChI=1S/C10H12BrNO3/c1-6-8(10(14)15-3-2-13)4-7(11)5-9(6)12/h4-5,13H,2-3,12H2,1H3
InChIKeyZTIJYXQAWXMHIW-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.49
Rot. Bonds3

About 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate

2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate (PubChem CID 107873761) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate
PubChem CID107873761
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate
SMILESCc1c(N)cc(Br)cc1C(=O)OCCO
InChIInChI=1S/C10H12BrNO3/c1-6-8(10(14)15-3-2-13)4-7(11)5-9(6)12/h4-5,13H,2-3,12H2,1H3
InChIKeyZTIJYXQAWXMHIW-UHFFFAOYSA-N
XLogP1.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutyl 3-amino-5-bromo-2-methylbenzoate
CID 114011476
3-ethoxypropyl 3-amino-5-bromo-2-methylbenzoate
CID 107873820
(2-amino-2-oxoethyl) 3-amino-5-bromo-2-methylbenzoate
CID 107873717
(3-cyano-3-methylbutyl) 3-amino-5-bromo-2-methylbenzoate
CID 107873852
1-cyanopropyl 3-amino-5-bromo-2-methylbenzoate
CID 107873905
2-(oxolan-2-yl)ethyl 3-amino-5-bromo-2-methylbenzoate
CID 107873699
pyridin-4-ylmethyl 3-amino-5-bromo-2-methylbenzoate
CID 107873634
(3,4-dimethylphenyl)methyl 3-amino-5-bromo-2-methylbenzoate
CID 107873811
[2-(2-methylpropylamino)-2-oxoethyl] 3-amino-5-bromo-2-methylbenzoate
CID 107873870
(2,4-difluorophenyl)methyl 3-amino-5-bromo-2-methylbenzoate
CID 107873911
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
2-hydroxyethyl 4-amino-3-bromo-2-methyl-5-(propan-2-ylamino)benzoate
CID 88772687

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate?
The IUPAC name of 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate (CID 107873761) is 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate.
What is the SMILES notation for 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate?
The canonical SMILES for 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate is Cc1c(N)cc(Br)cc1C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate?
The InChIKey is ZTIJYXQAWXMHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-6-8(10(14)15-3-2-13)4-7(11)5-9(6)12/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate?
2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate has a molecular weight of 274.11 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-amino-5-bromo-2-methylbenzoate is sourced from PubChem (CID 107873761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).