2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine

C12H5Cl2FN2O — CID 114734336

IUPAC2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H5Cl2FN2O/c13-7-3-1-2-6-4-9(18-11(6)7)10-8(15)5-16-12(14)17-10/h1-5H
InChIKeyVHOZSHTVUPSAIG-UHFFFAOYSA-N
MW283.09 g/mol
LogP4.34
Rot. Bonds1

About 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine

2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine (PubChem CID 114734336) has the molecular formula C12H5Cl2FN2O and a molecular weight of 283.09 g/mol. Its IUPAC name is 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
PubChem CID114734336
Molecular FormulaC12H5Cl2FN2O
Molecular Weight283.09 g/mol
Exact Mass281.98
IUPAC Name2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1-c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H5Cl2FN2O/c13-7-3-1-2-6-4-9(18-11(6)7)10-8(15)5-16-12(14)17-10/h1-5H
InChIKeyVHOZSHTVUPSAIG-UHFFFAOYSA-N
XLogP4.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-chloro-1-benzofuran-2-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 114735047
5-chloro-4-(7-chloro-1-benzofuran-2-yl)pyrimidine
CID 105371641
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
CID 114732001
4-(7-chloro-1-benzofuran-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770216
6-(7-chloro-1-benzofuran-2-yl)-4-methylpyridin-3-amine
CID 114256473
4-chloro-6-(7-chloro-1-benzofuran-2-yl)-5-nitropyrimidine
CID 114734359
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
CID 114732565
4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
CID 114731769
2-chloro-4-(2-chloro-5-fluorophenyl)-5-fluoropyrimidine
CID 105396029
6-(7-chloro-1-benzofuran-2-yl)-1H-pyrimidin-2-one
CID 106521970
4-(7-chloro-1-benzofuran-2-yl)-5-ethyl-1H-pyrimidin-6-one
CID 136770221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine (CID 114734336) is 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine is Fc1cnc(Cl)nc1-c1cc2cccc(Cl)c2o1.
What is the InChIKey of 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine?
The InChIKey is VHOZSHTVUPSAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2FN2O/c13-7-3-1-2-6-4-9(18-11(6)7)10-8(15)5-16-12(14)17-10/h1-5H.
What are the key properties of 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine?
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine has a molecular weight of 283.09 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine is sourced from PubChem (CID 114734336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).