iodo 2-amino-5-methylbenzoate

C8H8INO2 — CID 174945201

IUPACiodo 2-amino-5-methylbenzoate
SMILESCc1ccc(N)c(C(=O)OI)c1
InChIInChI=1S/C8H8INO2/c1-5-2-3-7(10)6(4-5)8(11)12-9/h2-4H,10H2,1H3
InChIKeyHOGADNJANJVTOL-UHFFFAOYSA-N
MW277.06 g/mol
LogP2.08
Rot. Bonds1

About iodo 2-amino-5-methylbenzoate

iodo 2-amino-5-methylbenzoate (PubChem CID 174945201) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is iodo 2-amino-5-methylbenzoate.

Molecular Properties

Compound Nameiodo 2-amino-5-methylbenzoate
PubChem CID174945201
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Nameiodo 2-amino-5-methylbenzoate
SMILESCc1ccc(N)c(C(=O)OI)c1
InChIInChI=1S/C8H8INO2/c1-5-2-3-7(10)6(4-5)8(11)12-9/h2-4H,10H2,1H3
InChIKeyHOGADNJANJVTOL-UHFFFAOYSA-N
XLogP2.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

difluoromethyl 2-amino-5-methylbenzoate
CID 65456591
(4-methoxy-4-oxobutyl) 2-amino-5-methylbenzoate
CID 65455835
[2-(dimethylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768625
(1-methylpiperidin-4-yl) 2-amino-5-methylbenzoate
CID 61284955
2-amino-N-methoxy-5-methylbenzamide
CID 64974828
decyl 2-amino-5-methylbenzoate
CID 65455832
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
[(1R)-1-phenylethyl] 2-amino-5-methylbenzoate
CID 70281981
[1-(dimethylamino)-1-oxopropan-2-yl] 2-amino-5-methylbenzoate
CID 60768575
2,2,2-trifluoroethoxymethyl 2-amino-5-methylbenzoate
CID 106705783
1-(2-amino-5-methylphenyl)prop-2-yn-1-one
CID 116581366
1-(2-amino-5-methylphenyl)-4-methylpentan-1-one
CID 116581267

Frequently Asked Questions

What is the IUPAC name of iodo 2-amino-5-methylbenzoate?
The IUPAC name of iodo 2-amino-5-methylbenzoate (CID 174945201) is iodo 2-amino-5-methylbenzoate.
What is the SMILES notation for iodo 2-amino-5-methylbenzoate?
The canonical SMILES for iodo 2-amino-5-methylbenzoate is Cc1ccc(N)c(C(=O)OI)c1.
What is the InChIKey of iodo 2-amino-5-methylbenzoate?
The InChIKey is HOGADNJANJVTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c1-5-2-3-7(10)6(4-5)8(11)12-9/h2-4H,10H2,1H3.
What are the key properties of iodo 2-amino-5-methylbenzoate?
iodo 2-amino-5-methylbenzoate has a molecular weight of 277.06 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-amino-5-methylbenzoate is sourced from PubChem (CID 174945201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).