7-bromo-1-methylindole-2-carboxylic acid

C10H8BrNO2 — CID 58493996

IUPAC7-bromo-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cccc(Br)c21
InChIInChI=1S/C10H8BrNO2/c1-12-8(10(13)14)5-6-3-2-4-7(11)9(6)12/h2-5H,1H3,(H,13,14)
InChIKeyNIQAGYXZZPNBLS-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.64
Rot. Bonds1

About 7-bromo-1-methylindole-2-carboxylic acid

7-bromo-1-methylindole-2-carboxylic acid (PubChem CID 58493996) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 7-bromo-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name7-bromo-1-methylindole-2-carboxylic acid
PubChem CID58493996
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name7-bromo-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2cccc(Br)c21
InChIInChI=1S/C10H8BrNO2/c1-12-8(10(13)14)5-6-3-2-4-7(11)9(6)12/h2-5H,1H3,(H,13,14)
InChIKeyNIQAGYXZZPNBLS-UHFFFAOYSA-N
XLogP2.64
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methylindole-2-carboxylic acid?
The IUPAC name of 7-bromo-1-methylindole-2-carboxylic acid (CID 58493996) is 7-bromo-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 7-bromo-1-methylindole-2-carboxylic acid?
The canonical SMILES for 7-bromo-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)cc2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-methylindole-2-carboxylic acid?
The InChIKey is NIQAGYXZZPNBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-12-8(10(13)14)5-6-3-2-4-7(11)9(6)12/h2-5H,1H3,(H,13,14).
What are the key properties of 7-bromo-1-methylindole-2-carboxylic acid?
7-bromo-1-methylindole-2-carboxylic acid has a molecular weight of 254.08 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 58493996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).