(3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

C10H11FN4O — CID 134703368

IUPAC(3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@H]1F
InChIInChI=1S/C10H11FN4O/c11-7-3-15(4-8(7)16)10-6-1-2-12-9(6)13-5-14-10/h1-2,5,7-8,16H,3-4H2,(H,12,13,14)/t7-,8-/m1/s1
InChIKeyKOJIXPOIZSXHRQ-HTQZYQBOSA-N
MW222.22 g/mol
LogP0.48
Rot. Bonds1

About (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

(3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 134703368) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID134703368
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name(3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@H]1F
InChIInChI=1S/C10H11FN4O/c11-7-3-15(4-8(7)16)10-6-1-2-12-9(6)13-5-14-10/h1-2,5,7-8,16H,3-4H2,(H,12,13,14)/t7-,8-/m1/s1
InChIKeyKOJIXPOIZSXHRQ-HTQZYQBOSA-N
XLogP0.48
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 134703368) is (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is O[C@@H]1CN(c2ncnc3[nH]ccc23)C[C@H]1F.
What is the InChIKey of (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is KOJIXPOIZSXHRQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H11FN4O/c11-7-3-15(4-8(7)16)10-6-1-2-12-9(6)13-5-14-10/h1-2,5,7-8,16H,3-4H2,(H,12,13,14)/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
(3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 222.22 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 134703368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).