4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine

C11H6Cl2FIN2O — CID 107922643

IUPAC4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
SMILESCOc1cc(-c2nc(Cl)c(I)c(Cl)n2)ccc1F
InChIInChI=1S/C11H6Cl2FIN2O/c1-18-7-4-5(2-3-6(7)14)11-16-9(12)8(15)10(13)17-11/h2-4H,1H3
InChIKeyVIPFVQJDUGDWNQ-UHFFFAOYSA-N
MW398.99 g/mol
LogP4.20
Rot. Bonds2

About 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine

4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine (PubChem CID 107922643) has the molecular formula C11H6Cl2FIN2O and a molecular weight of 398.99 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
PubChem CID107922643
Molecular FormulaC11H6Cl2FIN2O
Molecular Weight398.99 g/mol
Exact Mass397.89
IUPAC Name4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
SMILESCOc1cc(-c2nc(Cl)c(I)c(Cl)n2)ccc1F
InChIInChI=1S/C11H6Cl2FIN2O/c1-18-7-4-5(2-3-6(7)14)11-16-9(12)8(15)10(13)17-11/h2-4H,1H3
InChIKeyVIPFVQJDUGDWNQ-UHFFFAOYSA-N
XLogP4.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.99
LogP ≤ 54.20
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

4-chloro-2-(3-fluoro-4-methoxyphenyl)-5-iodo-6-methylpyrimidine
CID 66312624
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292818
4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 66292796
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66294483
6-bromo-4-chloro-2-(4-fluoro-3-methoxyphenyl)quinazoline
CID 81288093
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
2-[2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 107923089
4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450
5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine
CID 81284166
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-iodopyrimidine
CID 106818017
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
2-(4-fluoro-3-methoxyphenyl)-6-methylpyrimidine-4-carbaldehyde
CID 107923046

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine (CID 107922643) is 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine is COc1cc(-c2nc(Cl)c(I)c(Cl)n2)ccc1F.
What is the InChIKey of 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine?
The InChIKey is VIPFVQJDUGDWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2FIN2O/c1-18-7-4-5(2-3-6(7)14)11-16-9(12)8(15)10(13)17-11/h2-4H,1H3.
What are the key properties of 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine?
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine has a molecular weight of 398.99 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine is sourced from PubChem (CID 107922643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).