6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

C14H10ClN3O2 — CID 166517612

IUPAC6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cc(Cl)n2-c1ccc2c(c1)CCO2
InChIInChI=1S/C14H10ClN3O2/c15-12-6-10-13(16-7-17-14(10)19)18(12)9-1-2-11-8(5-9)3-4-20-11/h1-2,5-7H,3-4H2,(H,16,17,19)
InChIKeyHYRCLCAEVZYCNS-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.30
Rot. Bonds1

About 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 166517612) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID166517612
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cc(Cl)n2-c1ccc2c(c1)CCO2
InChIInChI=1S/C14H10ClN3O2/c15-12-6-10-13(16-7-17-14(10)19)18(12)9-1-2-11-8(5-9)3-4-20-11/h1-2,5-7H,3-4H2,(H,16,17,19)
InChIKeyHYRCLCAEVZYCNS-UHFFFAOYSA-N
XLogP2.30
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

7-(3-bromo-4-fluorophenyl)-6-chloro-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 139414929
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CID 136623259
8-bromo-9-(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)-1H-purin-6-one
CID 136703985
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methylphthalazin-1-one
CID 167914139
diethyl 1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 86291835
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
4-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,5-dihydroimidazol-2-one
CID 79960453
6-(1,3-benzodioxol-5-yl)-3H-quinazolin-4-one
CID 135858724
S-[1-(2,3-dihydro-1-benzofuran-5-yl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706616
5-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrimidine-2,4-dione
CID 66424176
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
6-chloro-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-methoxypyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 166517612) is 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1cc(Cl)n2-c1ccc2c(c1)CCO2.
What is the InChIKey of 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is HYRCLCAEVZYCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-12-6-10-13(16-7-17-14(10)19)18(12)9-1-2-11-8(5-9)3-4-20-11/h1-2,5-7H,3-4H2,(H,16,17,19).
What are the key properties of 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 287.71 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2,3-dihydro-1-benzofuran-5-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166517612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).