2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine

C12H7ClFIN2O — CID 21104307

IUPAC2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESFc1ccc(Cl)cc1-c1nc(I)c2c(n1)COC2
InChIInChI=1S/C12H7ClFIN2O/c13-6-1-2-9(14)7(3-6)12-16-10-5-18-4-8(10)11(15)17-12/h1-3H,4-5H2
InChIKeyDKKMOXNVPQTLHN-UHFFFAOYSA-N
MW376.56 g/mol
LogP3.57
Rot. Bonds1

About 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine

2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine (PubChem CID 21104307) has the molecular formula C12H7ClFIN2O and a molecular weight of 376.56 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine
PubChem CID21104307
Molecular FormulaC12H7ClFIN2O
Molecular Weight376.56 g/mol
Exact Mass375.93
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESFc1ccc(Cl)cc1-c1nc(I)c2c(n1)COC2
InChIInChI=1S/C12H7ClFIN2O/c13-6-1-2-9(14)7(3-6)12-16-10-5-18-4-8(10)11(15)17-12/h1-3H,4-5H2
InChIKeyDKKMOXNVPQTLHN-UHFFFAOYSA-N
XLogP3.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.56
LogP ≤ 53.57
H-Bond Donors ≤ 50
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 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine (CID 21104307) is 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine is Fc1ccc(Cl)cc1-c1nc(I)c2c(n1)COC2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine?
The InChIKey is DKKMOXNVPQTLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFIN2O/c13-6-1-2-9(14)7(3-6)12-16-10-5-18-4-8(10)11(15)17-12/h1-3H,4-5H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine?
2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine has a molecular weight of 376.56 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-iodo-5,7-dihydrofuro[3,4-d]pyrimidine is sourced from PubChem (CID 21104307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).