5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine

C13H15FN4O — CID 66865051

IUPAC5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn[nH]1
InChIInChI=1S/C13H15FN4O/c1-19-13-10(7-9(14)8-15-13)11-3-2-6-18(11)12-4-5-16-17-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyLFOZFGALKMOMML-LLVKDONJSA-N
MW262.29 g/mol
LogP2.29
Rot. Bonds3

About 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine

5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine (PubChem CID 66865051) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine
PubChem CID66865051
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn[nH]1
InChIInChI=1S/C13H15FN4O/c1-19-13-10(7-9(14)8-15-13)11-3-2-6-18(11)12-4-5-16-17-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyLFOZFGALKMOMML-LLVKDONJSA-N
XLogP2.29
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine (CID 66865051) is 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine is COc1ncc(F)cc1[C@H]1CCCN1c1ccn[nH]1.
What is the InChIKey of 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine?
The InChIKey is LFOZFGALKMOMML-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-19-13-10(7-9(14)8-15-13)11-3-2-6-18(11)12-4-5-16-17-12/h4-5,7-8,11H,2-3,6H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine?
5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine has a molecular weight of 262.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 66865051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).