CID 160637890

C10H8I2O3-2 — CID 160637890

IUPAC—
SMILESO=C(O)C1(c2ccc3c(c2)[I-]O[I-]3)CC1
InChIInChI=1S/C10H8I2O3/c13-9(14)10(3-4-10)6-1-2-7-8(5-6)12-15-11-7/h1-2,5H,3-4H2,(H,13,14)/q-2
InChIKeyOXJKPJBASSBHFX-UHFFFAOYSA-N
MW429.98 g/mol
LogP-4.82
Rot. Bonds2

About CID 160637890

CID 160637890 (PubChem CID 160637890) has the molecular formula C10H8I2O3-2 and a molecular weight of 429.98 g/mol.

Molecular Properties

Compound NameCID 160637890
PubChem CID160637890
Molecular FormulaC10H8I2O3-2
Molecular Weight429.98 g/mol
Exact Mass429.86
IUPAC Name—
SMILESO=C(O)C1(c2ccc3c(c2)[I-]O[I-]3)CC1
InChIInChI=1S/C10H8I2O3/c13-9(14)10(3-4-10)6-1-2-7-8(5-6)12-15-11-7/h1-2,5H,3-4H2,(H,13,14)/q-2
InChIKeyOXJKPJBASSBHFX-UHFFFAOYSA-N
XLogP-4.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.98
LogP ≤ 5-4.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 160637890 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

1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 59129550
1-(2,2-dideuterio-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 59129454
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid
CID 117328252
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 83731582
1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid
CID 117364823
1-(1,3-benzoxathiol-5-yl)cyclopropane-1-carboxylic acid
CID 117318038
1-(1,3-benzoxazol-5-yl)cyclopropane-1-carboxylic acid
CID 59129317
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133
4-(3,4-dichlorophenyl)oxane-4-carboxylic acid
CID 43164279

Frequently Asked Questions

What is the IUPAC name of CID 160637890?
The IUPAC name of CID 160637890 (CID 160637890) is not available.
What is the SMILES notation for CID 160637890?
The canonical SMILES for CID 160637890 is O=C(O)C1(c2ccc3c(c2)[I-]O[I-]3)CC1.
What is the InChIKey of CID 160637890?
The InChIKey is OXJKPJBASSBHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8I2O3/c13-9(14)10(3-4-10)6-1-2-7-8(5-6)12-15-11-7/h1-2,5H,3-4H2,(H,13,14)/q-2.
What are the key properties of CID 160637890?
CID 160637890 has a molecular weight of 429.98 g/mol, XLogP of -4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160637890 is sourced from PubChem (CID 160637890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).