2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine

C13H10BrClFIN2 — CID 81436468

IUPAC2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(-c2ccc(Br)c(F)c2)nc(Cl)c1I
InChIInChI=1S/C13H10BrClFIN2/c1-2-3-10-11(17)12(15)19-13(18-10)7-4-5-8(14)9(16)6-7/h4-6H,2-3H2,1H3
InChIKeyNMTWHQQUTOPGQS-UHFFFAOYSA-N
MW455.50 g/mol
LogP5.26
Rot. Bonds3

About 2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine

2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine (PubChem CID 81436468) has the molecular formula C13H10BrClFIN2 and a molecular weight of 455.50 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine
PubChem CID81436468
Molecular FormulaC13H10BrClFIN2
Molecular Weight455.50 g/mol
Exact Mass453.87
IUPAC Name2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(-c2ccc(Br)c(F)c2)nc(Cl)c1I
InChIInChI=1S/C13H10BrClFIN2/c1-2-3-10-11(17)12(15)19-13(18-10)7-4-5-8(14)9(16)6-7/h4-6H,2-3H2,1H3
InChIKeyNMTWHQQUTOPGQS-UHFFFAOYSA-N
XLogP5.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.50
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine (CID 81436468) is 2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine is CCCc1nc(-c2ccc(Br)c(F)c2)nc(Cl)c1I.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine?
The InChIKey is NMTWHQQUTOPGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFIN2/c1-2-3-10-11(17)12(15)19-13(18-10)7-4-5-8(14)9(16)6-7/h4-6H,2-3H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine?
2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine has a molecular weight of 455.50 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-4-chloro-5-iodo-6-propylpyrimidine is sourced from PubChem (CID 81436468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).