2-methylpyridine-3-carboxylic acid;hydroiodide

C7H8INO2 — CID 70394156

IUPAC2-methylpyridine-3-carboxylic acid;hydroiodide
SMILESCc1ncccc1C(=O)O.I
InChIInChI=1S/C7H7NO2.HI/c1-5-6(7(9)10)3-2-4-8-5;/h2-4H,1H3,(H,9,10);1H
InChIKeyABEWTYVKWDUXQB-UHFFFAOYSA-N
MW265.05 g/mol
LogP1.71
Rot. Bonds1

About 2-methylpyridine-3-carboxylic acid;hydroiodide

2-methylpyridine-3-carboxylic acid;hydroiodide (PubChem CID 70394156) has the molecular formula C7H8INO2 and a molecular weight of 265.05 g/mol. Its IUPAC name is 2-methylpyridine-3-carboxylic acid;hydroiodide.

Molecular Properties

Compound Name2-methylpyridine-3-carboxylic acid;hydroiodide
PubChem CID70394156
Molecular FormulaC7H8INO2
Molecular Weight265.05 g/mol
Exact Mass264.96
IUPAC Name2-methylpyridine-3-carboxylic acid;hydroiodide
SMILESCc1ncccc1C(=O)O.I
InChIInChI=1S/C7H7NO2.HI/c1-5-6(7(9)10)3-2-4-8-5;/h2-4H,1H3,(H,9,10);1H
InChIKeyABEWTYVKWDUXQB-UHFFFAOYSA-N
XLogP1.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
4-(2-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 82402283
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
pyridine-2,3-dicarboxylic acid
CID 1066
1-(2-methyl-3-pyridinyl)-2-oxopyridine-3-carboxylic acid
CID 137457935
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
(3-carboxy-2-pyridinyl)astatine
CID 174507208

Frequently Asked Questions

What is the IUPAC name of 2-methylpyridine-3-carboxylic acid;hydroiodide?
The IUPAC name of 2-methylpyridine-3-carboxylic acid;hydroiodide (CID 70394156) is 2-methylpyridine-3-carboxylic acid;hydroiodide.
What is the SMILES notation for 2-methylpyridine-3-carboxylic acid;hydroiodide?
The canonical SMILES for 2-methylpyridine-3-carboxylic acid;hydroiodide is Cc1ncccc1C(=O)O.I.
What is the InChIKey of 2-methylpyridine-3-carboxylic acid;hydroiodide?
The InChIKey is ABEWTYVKWDUXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.HI/c1-5-6(7(9)10)3-2-4-8-5;/h2-4H,1H3,(H,9,10);1H.
What are the key properties of 2-methylpyridine-3-carboxylic acid;hydroiodide?
2-methylpyridine-3-carboxylic acid;hydroiodide has a molecular weight of 265.05 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridine-3-carboxylic acid;hydroiodide is sourced from PubChem (CID 70394156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).