4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine

C11H8FIN2O — CID 66321208

IUPAC4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine
SMILESFc1ccccc1COc1ncncc1I
InChIInChI=1S/C11H8FIN2O/c12-9-4-2-1-3-8(9)6-16-11-10(13)5-14-7-15-11/h1-5,7H,6H2
InChIKeyOYSGKEQQTMQTDF-UHFFFAOYSA-N
MW330.10 g/mol
LogP2.80
Rot. Bonds3

About 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine

4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine (PubChem CID 66321208) has the molecular formula C11H8FIN2O and a molecular weight of 330.10 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine
PubChem CID66321208
Molecular FormulaC11H8FIN2O
Molecular Weight330.10 g/mol
Exact Mass329.97
IUPAC Name4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine
SMILESFc1ccccc1COc1ncncc1I
InChIInChI=1S/C11H8FIN2O/c12-9-4-2-1-3-8(9)6-16-11-10(13)5-14-7-15-11/h1-5,7H,6H2
InChIKeyOYSGKEQQTMQTDF-UHFFFAOYSA-N
XLogP2.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[(2-fluorophenyl)methoxy]pyrazine
CID 63936130
5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
CID 80876188
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252
2-[(2-fluorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66278256
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
[5-bromo-2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63937782
3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine
CID 81235169
2-bromo-5-[(2-fluorophenyl)methoxy]pyridine
CID 59596668
2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide
CID 56675331
3-[(2-fluorophenyl)methoxy]pyridazine-4-carbonitrile
CID 80510980
1-[(2-fluorophenyl)methoxy]-4-phenylphthalazine
CID 6407558
5-amino-6-[(2-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81439627

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine (CID 66321208) is 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine is Fc1ccccc1COc1ncncc1I.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine?
The InChIKey is OYSGKEQQTMQTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O/c12-9-4-2-1-3-8(9)6-16-11-10(13)5-14-7-15-11/h1-5,7H,6H2.
What are the key properties of 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine?
4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine has a molecular weight of 330.10 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-5-iodopyrimidine is sourced from PubChem (CID 66321208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).