(5-formamido-2-methylphenyl)boronic acid

C8H10BNO3 — CID 168652597

IUPAC(5-formamido-2-methylphenyl)boronic acid
SMILESCc1ccc(NC=O)cc1B(O)O
InChIInChI=1S/C8H10BNO3/c1-6-2-3-7(10-5-11)4-8(6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKeyGWUGZWSWDXUHGK-UHFFFAOYSA-N
MW178.98 g/mol
LogP-0.76
Rot. Bonds3

About (5-formamido-2-methylphenyl)boronic acid

(5-formamido-2-methylphenyl)boronic acid (PubChem CID 168652597) has the molecular formula C8H10BNO3 and a molecular weight of 178.98 g/mol. Its IUPAC name is (5-formamido-2-methylphenyl)boronic acid.

Molecular Properties

Compound Name(5-formamido-2-methylphenyl)boronic acid
PubChem CID168652597
Molecular FormulaC8H10BNO3
Molecular Weight178.98 g/mol
Exact Mass179.08
IUPAC Name(5-formamido-2-methylphenyl)boronic acid
SMILESCc1ccc(NC=O)cc1B(O)O
InChIInChI=1S/C8H10BNO3/c1-6-2-3-7(10-5-11)4-8(6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKeyGWUGZWSWDXUHGK-UHFFFAOYSA-N
XLogP-0.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.98
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-4-(trifluoromethyl)phenyl]formamide
CID 142387877
N-[4-(dimethylamino)-3-methylphenyl]formamide
CID 168653761
ethane;N-(4-methylphenyl)formamide
CID 142066401
4-borono-3-formamidobenzoic acid
CID 168654201
N-(4-tert-butyl-3-formamidophenyl)formamide
CID 71620542
N-(4-formamido-2-methylphenyl)pentanamide
CID 168653385
N-[4-(4-methylphenyl)phenyl]formamide
CID 87370886
N-(3-ethyl-4-hydroxyphenyl)formamide
CID 130016232
N-(3,5-diformamidophenyl)formamide
CID 87263269
N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide
CID 134567230
N-(2-methylquinolin-6-yl)formamide
CID 58958350
N-(2-chloro-4-methylquinolin-7-yl)formamide
CID 168653241

Frequently Asked Questions

What is the IUPAC name of (5-formamido-2-methylphenyl)boronic acid?
The IUPAC name of (5-formamido-2-methylphenyl)boronic acid (CID 168652597) is (5-formamido-2-methylphenyl)boronic acid.
What is the SMILES notation for (5-formamido-2-methylphenyl)boronic acid?
The canonical SMILES for (5-formamido-2-methylphenyl)boronic acid is Cc1ccc(NC=O)cc1B(O)O.
What is the InChIKey of (5-formamido-2-methylphenyl)boronic acid?
The InChIKey is GWUGZWSWDXUHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BNO3/c1-6-2-3-7(10-5-11)4-8(6)9(12)13/h2-5,12-13H,1H3,(H,10,11).
What are the key properties of (5-formamido-2-methylphenyl)boronic acid?
(5-formamido-2-methylphenyl)boronic acid has a molecular weight of 178.98 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formamido-2-methylphenyl)boronic acid is sourced from PubChem (CID 168652597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).