4-iodopyrimidin-5-ol

C4H3IN2O — CID 19597629

IUPAC4-iodopyrimidin-5-ol
SMILESOc1cncnc1I
InChIInChI=1S/C4H3IN2O/c5-4-3(8)1-6-2-7-4/h1-2,8H
InChIKeyUCCHCJWFSULSGU-UHFFFAOYSA-N
MW221.99 g/mol
LogP0.79
Rot. Bonds

About 4-iodopyrimidin-5-ol

4-iodopyrimidin-5-ol (PubChem CID 19597629) has the molecular formula C4H3IN2O and a molecular weight of 221.99 g/mol. Its IUPAC name is 4-iodopyrimidin-5-ol.

Molecular Properties

Compound Name4-iodopyrimidin-5-ol
PubChem CID19597629
Molecular FormulaC4H3IN2O
Molecular Weight221.99 g/mol
Exact Mass221.93
IUPAC Name4-iodopyrimidin-5-ol
SMILESOc1cncnc1I
InChIInChI=1S/C4H3IN2O/c5-4-3(8)1-6-2-7-4/h1-2,8H
InChIKeyUCCHCJWFSULSGU-UHFFFAOYSA-N
XLogP0.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.99
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-iodopyrimidine
CID 112694385
pyrido[4,3-d]pyrimidin-8-ol
CID 59256622
2-iodopyridin-3-ol;hydrochloride
CID 141441787
(5-hydroxy-6-iodo-3-pyridinyl)boronic acid
CID 91882767
5-(difluoromethyl)-4-iodopyridin-3-ol
CID 130096607
5H-pyrrolo[3,2-d]pyrimidin-7-ol
CID 68714083
5-(hydroxymethyl)-2-iodopyridin-3-ol
CID 58053713
4-(pyridin-4-ylamino)pyrimidin-5-ol
CID 122449210
4-amino-5-iodopyridin-3-ol
CID 133055887
4-iodo-5-(1-iodotetrazol-5-yl)pyrimidine
CID 138748461
methyl 3-(5-hydroxypyrimidin-4-yl)-3-oxopropanoate
CID 82657515
6-methoxyquinazolin-7-ol;hydrochloride
CID 174888473

Frequently Asked Questions

What is the IUPAC name of 4-iodopyrimidin-5-ol?
The IUPAC name of 4-iodopyrimidin-5-ol (CID 19597629) is 4-iodopyrimidin-5-ol.
What is the SMILES notation for 4-iodopyrimidin-5-ol?
The canonical SMILES for 4-iodopyrimidin-5-ol is Oc1cncnc1I.
What is the InChIKey of 4-iodopyrimidin-5-ol?
The InChIKey is UCCHCJWFSULSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IN2O/c5-4-3(8)1-6-2-7-4/h1-2,8H.
What are the key properties of 4-iodopyrimidin-5-ol?
4-iodopyrimidin-5-ol has a molecular weight of 221.99 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopyrimidin-5-ol is sourced from PubChem (CID 19597629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).