4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one

C9H5ClIN3O2 — CID 114676453

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cncc(Cl)c2)c1I
InChIInChI=1S/C9H5ClIN3O2/c10-5-1-6(3-12-2-5)16-9-7(11)8(15)13-4-14-9/h1-4H,(H,13,14,15)
InChIKeyCVRTZLBXACKSSG-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.22
Rot. Bonds2

About 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one

4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one (PubChem CID 114676453) has the molecular formula C9H5ClIN3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one
PubChem CID114676453
Molecular FormulaC9H5ClIN3O2
Molecular Weight349.52 g/mol
Exact Mass348.91
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Oc2cncc(Cl)c2)c1I
InChIInChI=1S/C9H5ClIN3O2/c10-5-1-6(3-12-2-5)16-9-7(11)8(15)13-4-14-9/h1-4H,(H,13,14,15)
InChIKeyCVRTZLBXACKSSG-UHFFFAOYSA-N
XLogP2.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-naphthalen-2-yloxy-1H-pyrimidin-6-one
CID 114676042
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
4-(3-bromo-5-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574406
4-(3-amino-4-methylphenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114252553
4-(5-bromo-2-chlorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114574379
5-iodo-4-(3-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 114675961
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 114585606
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzamide
CID 114676141
2-[(5-chloro-3-pyridinyl)oxy]-1,3-thiazol-5-amine
CID 102769518
5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine
CID 66319604
1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid
CID 106765808
4-(4-amino-2,5-difluorophenoxy)-5-iodo-1H-pyrimidin-6-one
CID 114578763

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one (CID 114676453) is 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(Oc2cncc(Cl)c2)c1I.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is CVRTZLBXACKSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClIN3O2/c10-5-1-6(3-12-2-5)16-9-7(11)8(15)13-4-14-9/h1-4H,(H,13,14,15).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one?
4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.52 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 114676453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).