3-amino-2-hydroxy-5-methylbenzamide

C8H10N2O2 — CID 59564180

IUPAC3-amino-2-hydroxy-5-methylbenzamide
SMILESCc1cc(N)c(O)c(C(N)=O)c1
InChIInChI=1S/C8H10N2O2/c1-4-2-5(8(10)12)7(11)6(9)3-4/h2-3,11H,9H2,1H3,(H2,10,12)
InChIKeyRQRONDLIODVXCV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.38
Rot. Bonds1

About 3-amino-2-hydroxy-5-methylbenzamide

3-amino-2-hydroxy-5-methylbenzamide (PubChem CID 59564180) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-2-hydroxy-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-5-methylbenzamide
PubChem CID59564180
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-amino-2-hydroxy-5-methylbenzamide
SMILESCc1cc(N)c(O)c(C(N)=O)c1
InChIInChI=1S/C8H10N2O2/c1-4-2-5(8(10)12)7(11)6(9)3-4/h2-3,11H,9H2,1H3,(H2,10,12)
InChIKeyRQRONDLIODVXCV-UHFFFAOYSA-N
XLogP0.38
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methoxy-5-methylbenzamide
CID 50882289
3-hydroxy-2,5-dimethylbenzamide
CID 119002669
3-[[4,7-bis[(3-carbamoyl-2-hydroxy-5-methylphenyl)methyl]-1,4,7-triazonan-1-yl]methyl]-2-hydroxy-5-methylbenzamide
CID 170744187
3-amino-N-(4-chlorophenyl)-2-hydroxy-5-methylbenzamide;ethane
CID 142869645
3-chloro-2,5-dimethylbenzamide
CID 171008035
5-carbamoyl-4-hydroxy-2,3-dimethylbenzenesulfonic acid
CID 141021673
3,5-diamino-2,6-dihydroxybenzamide
CID 139938783
2,4-dihydroxy-5-iodo-3-methylbenzamide
CID 87861226
3-bromo-2-chloro-5-methylbenzamide
CID 131538692
2-amino-6-(aminomethyl)-4-methylphenol
CID 82417085
2-acetyl-4-methylbenzamide
CID 163253724
3-amino-2-hydroxy-5-methylbenzonitrile
CID 171018045

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-5-methylbenzamide?
The IUPAC name of 3-amino-2-hydroxy-5-methylbenzamide (CID 59564180) is 3-amino-2-hydroxy-5-methylbenzamide.
What is the SMILES notation for 3-amino-2-hydroxy-5-methylbenzamide?
The canonical SMILES for 3-amino-2-hydroxy-5-methylbenzamide is Cc1cc(N)c(O)c(C(N)=O)c1.
What is the InChIKey of 3-amino-2-hydroxy-5-methylbenzamide?
The InChIKey is RQRONDLIODVXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-2-5(8(10)12)7(11)6(9)3-4/h2-3,11H,9H2,1H3,(H2,10,12).
What are the key properties of 3-amino-2-hydroxy-5-methylbenzamide?
3-amino-2-hydroxy-5-methylbenzamide has a molecular weight of 166.18 g/mol, XLogP of 0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-5-methylbenzamide is sourced from PubChem (CID 59564180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).