4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine

C12H9ClN2O — CID 105371530

IUPAC4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine
SMILESClc1ncncc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C12H9ClN2O/c13-12-10(6-14-7-15-12)8-1-2-11-9(5-8)3-4-16-11/h1-2,5-7H,3-4H2
InChIKeyUDXIHJLLPDQORM-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.73
Rot. Bonds1

About 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine

4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine (PubChem CID 105371530) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine
PubChem CID105371530
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine
SMILESClc1ncncc1-c1ccc2c(c1)CCO2
InChIInChI=1S/C12H9ClN2O/c13-12-10(6-14-7-15-12)8-1-2-11-9(5-8)3-4-16-11/h1-2,5-7H,3-4H2
InChIKeyUDXIHJLLPDQORM-UHFFFAOYSA-N
XLogP2.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)phthalazine
CID 28902016
2,5-dichloro-4-(2,3-dihydro-1-benzofuran-5-yl)phenol
CID 107663413
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865195
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
3-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 112571955
6-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 104544727
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-iodo-6-methylpyrimidine
CID 66311652
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
5-bromo-7-chloroquinoxaline;7-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)quinoxaline
CID 159079580
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine?
The IUPAC name of 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine (CID 105371530) is 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine is Clc1ncncc1-c1ccc2c(c1)CCO2.
What is the InChIKey of 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine?
The InChIKey is UDXIHJLLPDQORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-12-10(6-14-7-15-12)8-1-2-11-9(5-8)3-4-16-11/h1-2,5-7H,3-4H2.
What are the key properties of 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine?
4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine has a molecular weight of 232.67 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine is sourced from PubChem (CID 105371530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).