4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine

C14H7Cl2FN2O — CID 79440122

IUPAC4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine
SMILESFc1cccc(-c2c(Cl)nc(-c3ccoc3)nc2Cl)c1
InChIInChI=1S/C14H7Cl2FN2O/c15-12-11(8-2-1-3-10(17)6-8)13(16)19-14(18-12)9-4-5-20-7-9/h1-7H
InChIKeyVNZFOVZHCPTXQP-UHFFFAOYSA-N
MW309.13 g/mol
LogP4.85
Rot. Bonds2

About 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine

4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine (PubChem CID 79440122) has the molecular formula C14H7Cl2FN2O and a molecular weight of 309.13 g/mol. Its IUPAC name is 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine
PubChem CID79440122
Molecular FormulaC14H7Cl2FN2O
Molecular Weight309.13 g/mol
Exact Mass307.99
IUPAC Name4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine
SMILESFc1cccc(-c2c(Cl)nc(-c3ccoc3)nc2Cl)c1
InChIInChI=1S/C14H7Cl2FN2O/c15-12-11(8-2-1-3-10(17)6-8)13(16)19-14(18-12)9-4-5-20-7-9/h1-7H
InChIKeyVNZFOVZHCPTXQP-UHFFFAOYSA-N
XLogP4.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine (CID 79440122) is 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine is Fc1cccc(-c2c(Cl)nc(-c3ccoc3)nc2Cl)c1.
What is the InChIKey of 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine?
The InChIKey is VNZFOVZHCPTXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2O/c15-12-11(8-2-1-3-10(17)6-8)13(16)19-14(18-12)9-4-5-20-7-9/h1-7H.
What are the key properties of 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine?
4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine has a molecular weight of 309.13 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3-fluorophenyl)-2-(furan-3-yl)pyrimidine is sourced from PubChem (CID 79440122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).