iodoethane;pyridine-3-carboxylic acid

C8H10INO2 — CID 158495952

IUPACiodoethane;pyridine-3-carboxylic acid
SMILESCCI.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2.C2H5I/c8-6(9)5-2-1-3-7-4-5;1-2-3/h1-4H,(H,8,9);2H2,1H3
InChIKeyHJHFWRZOMYUAIT-UHFFFAOYSA-N
MW279.08 g/mol
LogP2.22
Rot. Bonds1

About iodoethane;pyridine-3-carboxylic acid

iodoethane;pyridine-3-carboxylic acid (PubChem CID 158495952) has the molecular formula C8H10INO2 and a molecular weight of 279.08 g/mol. Its IUPAC name is iodoethane;pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameiodoethane;pyridine-3-carboxylic acid
PubChem CID158495952
Molecular FormulaC8H10INO2
Molecular Weight279.08 g/mol
Exact Mass278.98
IUPAC Nameiodoethane;pyridine-3-carboxylic acid
SMILESCCI.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2.C2H5I/c8-6(9)5-2-1-3-7-4-5;1-2-3/h1-4H,(H,8,9);2H2,1H3
InChIKeyHJHFWRZOMYUAIT-UHFFFAOYSA-N
XLogP2.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.22
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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Related Compounds

CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
propane-1,2-diol;pyridine-3-carboxylic acid
CID 159503029
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride
CID 174889532
ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885
1-ethoxypropan-2-ol;pyridine-3-carboxylic acid
CID 158241647
hexane-1,2,3,4,5,6-hexol;pyridine-3-carboxylic acid
CID 174699065

Frequently Asked Questions

What is the IUPAC name of iodoethane;pyridine-3-carboxylic acid?
The IUPAC name of iodoethane;pyridine-3-carboxylic acid (CID 158495952) is iodoethane;pyridine-3-carboxylic acid.
What is the SMILES notation for iodoethane;pyridine-3-carboxylic acid?
The canonical SMILES for iodoethane;pyridine-3-carboxylic acid is CCI.O=C(O)c1cccnc1.
What is the InChIKey of iodoethane;pyridine-3-carboxylic acid?
The InChIKey is HJHFWRZOMYUAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C2H5I/c8-6(9)5-2-1-3-7-4-5;1-2-3/h1-4H,(H,8,9);2H2,1H3.
What are the key properties of iodoethane;pyridine-3-carboxylic acid?
iodoethane;pyridine-3-carboxylic acid has a molecular weight of 279.08 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodoethane;pyridine-3-carboxylic acid is sourced from PubChem (CID 158495952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).