5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine

C10H8IN3O — CID 66321198

IUPAC5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCc1ccc(Oc2ncncc2I)cn1
InChIInChI=1S/C10H8IN3O/c1-7-2-3-8(4-13-7)15-10-9(11)5-12-6-14-10/h2-6H,1H3
InChIKeyFYCHKZAPAOIFHH-UHFFFAOYSA-N
MW313.10 g/mol
LogP2.58
Rot. Bonds2

About 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine

5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine (PubChem CID 66321198) has the molecular formula C10H8IN3O and a molecular weight of 313.10 g/mol. Its IUPAC name is 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine.

Molecular Properties

Compound Name5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
PubChem CID66321198
Molecular FormulaC10H8IN3O
Molecular Weight313.10 g/mol
Exact Mass312.97
IUPAC Name5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine
SMILESCc1ccc(Oc2ncncc2I)cn1
InChIInChI=1S/C10H8IN3O/c1-7-2-3-8(4-13-7)15-10-9(11)5-12-6-14-10/h2-6H,1H3
InChIKeyFYCHKZAPAOIFHH-UHFFFAOYSA-N
XLogP2.58
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
The IUPAC name of 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine (CID 66321198) is 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine.
What is the SMILES notation for 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
The canonical SMILES for 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine is Cc1ccc(Oc2ncncc2I)cn1.
What is the InChIKey of 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
The InChIKey is FYCHKZAPAOIFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN3O/c1-7-2-3-8(4-13-7)15-10-9(11)5-12-6-14-10/h2-6H,1H3.
What are the key properties of 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine?
5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine has a molecular weight of 313.10 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(6-methyl-3-pyridinyl)oxy]pyrimidine is sourced from PubChem (CID 66321198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).