5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid

C9H10INO3 — CID 138702956

IUPAC5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ncc1OCCI
InChIInChI=1S/C9H10INO3/c1-6-4-7(9(12)13)11-5-8(6)14-3-2-10/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyMREMEJMYBTXNQT-UHFFFAOYSA-N
MW307.09 g/mol
LogP1.90
Rot. Bonds4

About 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid

5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid (PubChem CID 138702956) has the molecular formula C9H10INO3 and a molecular weight of 307.09 g/mol. Its IUPAC name is 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid
PubChem CID138702956
Molecular FormulaC9H10INO3
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ncc1OCCI
InChIInChI=1S/C9H10INO3/c1-6-4-7(9(12)13)11-5-8(6)14-3-2-10/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyMREMEJMYBTXNQT-UHFFFAOYSA-N
XLogP1.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 67026980
CID 67026980
7-methoxy-6-methylisoquinoline-3-carboxylic acid
CID 82393522
5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid
CID 138674847
5-methylpyridine-2,4-dicarboxylic acid;hydrochloride
CID 156874397
5-ethynyl-4-methylpyridine-2-carboxylic acid
CID 74888658
4-[4-(2-iodoethoxy)-3-methylphenyl]-3-propoxybenzoic acid
CID 146688577
4-[4-(2-iodoethoxy)-3-methylphenyl]-2-phenoxybenzoic acid
CID 147938385
4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
CID 118852266
5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid
CID 118408988
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
5-(2-methoxy-3-methylphenyl)-4-methylpyridine-2-carboxylic acid
CID 167486684
4-(3-hydroxy-3-methylbutoxy)-3-methylbenzoic acid
CID 107673552

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid (CID 138702956) is 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid is Cc1cc(C(=O)O)ncc1OCCI.
What is the InChIKey of 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid?
The InChIKey is MREMEJMYBTXNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3/c1-6-4-7(9(12)13)11-5-8(6)14-3-2-10/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid?
5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid has a molecular weight of 307.09 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodoethoxy)-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 138702956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).