[3-(6-iodopyrimidin-4-yl)phenyl]methanol

C11H9IN2O — CID 51355574

IUPAC[3-(6-iodopyrimidin-4-yl)phenyl]methanol
SMILESOCc1cccc(-c2cc(I)ncn2)c1
InChIInChI=1S/C11H9IN2O/c12-11-5-10(13-7-14-11)9-3-1-2-8(4-9)6-15/h1-5,7,15H,6H2
InChIKeyNOHKORRMSNOSKM-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.24
Rot. Bonds2

About [3-(6-iodopyrimidin-4-yl)phenyl]methanol

[3-(6-iodopyrimidin-4-yl)phenyl]methanol (PubChem CID 51355574) has the molecular formula C11H9IN2O and a molecular weight of 312.11 g/mol. Its IUPAC name is [3-(6-iodopyrimidin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(6-iodopyrimidin-4-yl)phenyl]methanol
PubChem CID51355574
Molecular FormulaC11H9IN2O
Molecular Weight312.11 g/mol
Exact Mass311.98
IUPAC Name[3-(6-iodopyrimidin-4-yl)phenyl]methanol
SMILESOCc1cccc(-c2cc(I)ncn2)c1
InChIInChI=1S/C11H9IN2O/c12-11-5-10(13-7-14-11)9-3-1-2-8(4-9)6-15/h1-5,7,15H,6H2
InChIKeyNOHKORRMSNOSKM-UHFFFAOYSA-N
XLogP2.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(6-iodopyrimidin-4-yl)phenyl]methanol?
The IUPAC name of [3-(6-iodopyrimidin-4-yl)phenyl]methanol (CID 51355574) is [3-(6-iodopyrimidin-4-yl)phenyl]methanol.
What is the SMILES notation for [3-(6-iodopyrimidin-4-yl)phenyl]methanol?
The canonical SMILES for [3-(6-iodopyrimidin-4-yl)phenyl]methanol is OCc1cccc(-c2cc(I)ncn2)c1.
What is the InChIKey of [3-(6-iodopyrimidin-4-yl)phenyl]methanol?
The InChIKey is NOHKORRMSNOSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O/c12-11-5-10(13-7-14-11)9-3-1-2-8(4-9)6-15/h1-5,7,15H,6H2.
What are the key properties of [3-(6-iodopyrimidin-4-yl)phenyl]methanol?
[3-(6-iodopyrimidin-4-yl)phenyl]methanol has a molecular weight of 312.11 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-iodopyrimidin-4-yl)phenyl]methanol is sourced from PubChem (CID 51355574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).