2-(3-iodo-5-methylindazol-1-yl)acetic acid

C10H9IN2O2 — CID 71223562

IUPAC2-(3-iodo-5-methylindazol-1-yl)acetic acid
SMILESCc1ccc2c(c1)c(I)nn2CC(=O)O
InChIInChI=1S/C10H9IN2O2/c1-6-2-3-8-7(4-6)10(11)12-13(8)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyIZFIDHRFMQOGRK-UHFFFAOYSA-N
MW316.10 g/mol
LogP2.03
Rot. Bonds2

About 2-(3-iodo-5-methylindazol-1-yl)acetic acid

2-(3-iodo-5-methylindazol-1-yl)acetic acid (PubChem CID 71223562) has the molecular formula C10H9IN2O2 and a molecular weight of 316.10 g/mol. Its IUPAC name is 2-(3-iodo-5-methylindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-iodo-5-methylindazol-1-yl)acetic acid
PubChem CID71223562
Molecular FormulaC10H9IN2O2
Molecular Weight316.10 g/mol
Exact Mass315.97
IUPAC Name2-(3-iodo-5-methylindazol-1-yl)acetic acid
SMILESCc1ccc2c(c1)c(I)nn2CC(=O)O
InChIInChI=1S/C10H9IN2O2/c1-6-2-3-8-7(4-6)10(11)12-13(8)5-9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyIZFIDHRFMQOGRK-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-iodo-5-methylindazol-1-yl)acetic acid?
The IUPAC name of 2-(3-iodo-5-methylindazol-1-yl)acetic acid (CID 71223562) is 2-(3-iodo-5-methylindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-iodo-5-methylindazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-iodo-5-methylindazol-1-yl)acetic acid is Cc1ccc2c(c1)c(I)nn2CC(=O)O.
What is the InChIKey of 2-(3-iodo-5-methylindazol-1-yl)acetic acid?
The InChIKey is IZFIDHRFMQOGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2/c1-6-2-3-8-7(4-6)10(11)12-13(8)5-9(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-(3-iodo-5-methylindazol-1-yl)acetic acid?
2-(3-iodo-5-methylindazol-1-yl)acetic acid has a molecular weight of 316.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-5-methylindazol-1-yl)acetic acid is sourced from PubChem (CID 71223562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).