2-(iodomethyl)-6-methylpyridine-3-carboxylic acid

C8H8INO2 — CID 89343867

IUPAC2-(iodomethyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(CI)n1
InChIInChI=1S/C8H8INO2/c1-5-2-3-6(8(11)12)7(4-9)10-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyJWLHPYWBKSIILB-UHFFFAOYSA-N
MW277.06 g/mol
LogP2.02
Rot. Bonds2

About 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid

2-(iodomethyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 89343867) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(iodomethyl)-6-methylpyridine-3-carboxylic acid
PubChem CID89343867
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name2-(iodomethyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(CI)n1
InChIInChI=1S/C8H8INO2/c1-5-2-3-6(8(11)12)7(4-9)10-5/h2-3H,4H2,1H3,(H,11,12)
InChIKeyJWLHPYWBKSIILB-UHFFFAOYSA-N
XLogP2.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid (CID 89343867) is 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(CI)n1.
What is the InChIKey of 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is JWLHPYWBKSIILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c1-5-2-3-6(8(11)12)7(4-9)10-5/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid?
2-(iodomethyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 277.06 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 89343867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).