2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid

C8H10INO2 — CID 67719190

IUPAC2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid
SMILESCCC1(I)NC=CC=C1C(=O)O
InChIInChI=1S/C8H10INO2/c1-2-8(9)6(7(11)12)4-3-5-10-8/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyDNVDZXQGPWNEIC-UHFFFAOYSA-N
MW279.08 g/mol
LogP1.66
Rot. Bonds2

About 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid

2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid (PubChem CID 67719190) has the molecular formula C8H10INO2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid
PubChem CID67719190
Molecular FormulaC8H10INO2
Molecular Weight279.08 g/mol
Exact Mass278.98
IUPAC Name2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid
SMILESCCC1(I)NC=CC=C1C(=O)O
InChIInChI=1S/C8H10INO2/c1-2-8(9)6(7(11)12)4-3-5-10-8/h3-5,10H,2H2,1H3,(H,11,12)
InChIKeyDNVDZXQGPWNEIC-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid (CID 67719190) is 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid is CCC1(I)NC=CC=C1C(=O)O.
What is the InChIKey of 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid?
The InChIKey is DNVDZXQGPWNEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO2/c1-2-8(9)6(7(11)12)4-3-5-10-8/h3-5,10H,2H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid?
2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid has a molecular weight of 279.08 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-iodo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 67719190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).