3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone

C12H12INO — CID 10881534

IUPAC3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CC=CCC1
InChIInChI=1S/C12H12INO/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h1-4,6-7H,5,8-9H2
InChIKeyOOLRWMDECACOHT-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.69
Rot. Bonds1

About 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone

3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone (PubChem CID 10881534) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone
PubChem CID10881534
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CC=CCC1
InChIInChI=1S/C12H12INO/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h1-4,6-7H,5,8-9H2
InChIKeyOOLRWMDECACOHT-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dihydro-2H-pyridin-1-yl-(2-sulfanylphenyl)methanone
CID 107036222
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 114412238
3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
CID 114411450
(3-hydroxypyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55211972
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone
CID 61400654
(3,4-diaminopiperidin-1-yl)-(2-iodophenyl)methanone
CID 22008221
cinnolin-4-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178404
4-(2-iodobenzoyl)piperazine-1-sulfonamide
CID 61068450
(2-iodophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66371651
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone (CID 10881534) is 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone is O=C(c1ccccc1I)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone?
The InChIKey is OOLRWMDECACOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c13-11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h1-4,6-7H,5,8-9H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone?
3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone has a molecular weight of 313.14 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone is sourced from PubChem (CID 10881534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).