(4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol

C9H10INO2 — CID 131076126

IUPAC(4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol
SMILESN[C@@H]1CCOc2ccc(O)c(I)c21
InChIInChI=1S/C9H10INO2/c10-9-6(12)1-2-7-8(9)5(11)3-4-13-7/h1-2,5,12H,3-4,11H2/t5-/m1/s1
InChIKeyKPYYYILHZPMSII-RXMQYKEDSA-N
MW291.09 g/mol
LogP1.78
Rot. Bonds

About (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol

(4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol (PubChem CID 131076126) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name(4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol
PubChem CID131076126
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name(4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol
SMILESN[C@@H]1CCOc2ccc(O)c(I)c21
InChIInChI=1S/C9H10INO2/c10-9-6(12)1-2-7-8(9)5(11)3-4-13-7/h1-2,5,12H,3-4,11H2/t5-/m1/s1
InChIKeyKPYYYILHZPMSII-RXMQYKEDSA-N
XLogP1.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol 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

(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130779709
(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 130611343
(4R)-4-amino-5-ethyl-3,4-dihydro-2H-chromen-6-ol
CID 130699791
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446
5-iodo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 18177399
(4S)-4-amino-5-methoxy-3,4-dihydro-2H-chromen-8-ol
CID 130706327
(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
CID 171252096
(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol
CID 131107943
(3R)-3-amino-4-methoxy-2,3-dihydro-1-benzofuran-5-ol
CID 130665432
(5-bromo-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 105422199
(4S)-5,6,7-trifluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252159
(3R)-5-iodo-4-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 131165587

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol (CID 131076126) is (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol is N[C@@H]1CCOc2ccc(O)c(I)c21.
What is the InChIKey of (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is KPYYYILHZPMSII-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10INO2/c10-9-6(12)1-2-7-8(9)5(11)3-4-13-7/h1-2,5,12H,3-4,11H2/t5-/m1/s1.
What are the key properties of (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol?
(4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 291.09 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 131076126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).