2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine

C10H6FN3S — CID 132580407

IUPAC2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1nc(-c2ccsc2)c2cc[nH]c2n1
InChIInChI=1S/C10H6FN3S/c11-10-13-8(6-2-4-15-5-6)7-1-3-12-9(7)14-10/h1-5H,(H,12,13,14)
InChIKeyQZPXPBWDCMKGTI-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.83
Rot. Bonds1

About 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine

2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 132580407) has the molecular formula C10H6FN3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID132580407
Molecular FormulaC10H6FN3S
Molecular Weight219.24 g/mol
Exact Mass219.03
IUPAC Name2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1nc(-c2ccsc2)c2cc[nH]c2n1
InChIInChI=1S/C10H6FN3S/c11-10-13-8(6-2-4-15-5-6)7-1-3-12-9(7)14-10/h1-5H,(H,12,13,14)
InChIKeyQZPXPBWDCMKGTI-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 132580407) is 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine is Fc1nc(-c2ccsc2)c2cc[nH]c2n1.
What is the InChIKey of 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is QZPXPBWDCMKGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3S/c11-10-13-8(6-2-4-15-5-6)7-1-3-12-9(7)14-10/h1-5H,(H,12,13,14).
What are the key properties of 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 219.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 132580407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).