4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine

C11H6ClF2IN2 — CID 66294711

IUPAC4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine
SMILESFc1ccc(Cc2ncc(I)c(Cl)n2)c(F)c1
InChIInChI=1S/C11H6ClF2IN2/c12-11-9(15)5-16-10(17-11)3-6-1-2-7(13)4-8(6)14/h1-2,4-5H,3H2
InChIKeyJDSDSPAVZNPOEF-UHFFFAOYSA-N
MW366.54 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine

4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine (PubChem CID 66294711) has the molecular formula C11H6ClF2IN2 and a molecular weight of 366.54 g/mol. Its IUPAC name is 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine
PubChem CID66294711
Molecular FormulaC11H6ClF2IN2
Molecular Weight366.54 g/mol
Exact Mass365.92
IUPAC Name4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine
SMILESFc1ccc(Cc2ncc(I)c(Cl)n2)c(F)c1
InChIInChI=1S/C11H6ClF2IN2/c12-11-9(15)5-16-10(17-11)3-6-1-2-7(13)4-8(6)14/h1-2,4-5H,3H2
InChIKeyJDSDSPAVZNPOEF-UHFFFAOYSA-N
XLogP3.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.54
LogP ≤ 53.60
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 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine (CID 66294711) is 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine is Fc1ccc(Cc2ncc(I)c(Cl)n2)c(F)c1.
What is the InChIKey of 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine?
The InChIKey is JDSDSPAVZNPOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2IN2/c12-11-9(15)5-16-10(17-11)3-6-1-2-7(13)4-8(6)14/h1-2,4-5H,3H2.
What are the key properties of 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine?
4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine has a molecular weight of 366.54 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,4-difluorophenyl)methyl]-5-iodopyrimidine is sourced from PubChem (CID 66294711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).