(5-methyl-1H-indol-6-yl)boronic acid

C9H10BNO2 — CID 119085181

IUPAC(5-methyl-1H-indol-6-yl)boronic acid
SMILESCc1cc2cc[nH]c2cc1B(O)O
InChIInChI=1S/C9H10BNO2/c1-6-4-7-2-3-11-9(7)5-8(6)10(12)13/h2-5,11-13H,1H3
InChIKeyKUVACSVHFYJHKA-UHFFFAOYSA-N
MW175.00 g/mol
LogP0.16
Rot. Bonds1

About (5-methyl-1H-indol-6-yl)boronic acid

(5-methyl-1H-indol-6-yl)boronic acid (PubChem CID 119085181) has the molecular formula C9H10BNO2 and a molecular weight of 175.00 g/mol. Its IUPAC name is (5-methyl-1H-indol-6-yl)boronic acid.

Molecular Properties

Compound Name(5-methyl-1H-indol-6-yl)boronic acid
PubChem CID119085181
Molecular FormulaC9H10BNO2
Molecular Weight175.00 g/mol
Exact Mass175.08
IUPAC Name(5-methyl-1H-indol-6-yl)boronic acid
SMILESCc1cc2cc[nH]c2cc1B(O)O
InChIInChI=1S/C9H10BNO2/c1-6-4-7-2-3-11-9(7)5-8(6)10(12)13/h2-5,11-13H,1H3
InChIKeyKUVACSVHFYJHKA-UHFFFAOYSA-N
XLogP0.16
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.00
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxy-1H-indol-6-yl)boronic acid
CID 68543723
1-(6-methyl-1H-indol-5-yl)ethanone
CID 58835531
5-ethyl-6-methyl-1H-indole
CID 89488982
2-(5-methyl-1H-indol-6-yl)prop-2-enamide
CID 176897956
2-methyl-7H-thieno[3,2-f]indole
CID 69039188
CID 159912603
CID 159912603
5-ethyl-6-methyl-1H-indole;molecular hydrogen
CID 163372322
hydron;6-methyl-1H-indole
CID 174894355
5,6-dichloro-1H-indole
CID 10487776
5-amino-1H-indole-6-carboxylic acid
CID 117273186
ethane;1H-indole-6-carboxylic acid
CID 142472960
tert-butyl formate;6-fluoro-5-methyl-1H-indole
CID 174455611

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indol-6-yl)boronic acid?
The IUPAC name of (5-methyl-1H-indol-6-yl)boronic acid (CID 119085181) is (5-methyl-1H-indol-6-yl)boronic acid.
What is the SMILES notation for (5-methyl-1H-indol-6-yl)boronic acid?
The canonical SMILES for (5-methyl-1H-indol-6-yl)boronic acid is Cc1cc2cc[nH]c2cc1B(O)O.
What is the InChIKey of (5-methyl-1H-indol-6-yl)boronic acid?
The InChIKey is KUVACSVHFYJHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BNO2/c1-6-4-7-2-3-11-9(7)5-8(6)10(12)13/h2-5,11-13H,1H3.
What are the key properties of (5-methyl-1H-indol-6-yl)boronic acid?
(5-methyl-1H-indol-6-yl)boronic acid has a molecular weight of 175.00 g/mol, XLogP of 0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indol-6-yl)boronic acid is sourced from PubChem (CID 119085181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).