2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine

C12H11BrFN3O — CID 175920701

IUPAC2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
SMILESFc1ccc(-c2nn([C@@H]3CCOC3)cc2Br)nc1
InChIInChI=1S/C12H11BrFN3O/c13-10-6-17(9-3-4-18-7-9)16-12(10)11-2-1-8(14)5-15-11/h1-2,5-6,9H,3-4,7H2/t9-/m1/s1
InChIKeyQIAFIGMLENMVSR-SECBINFHSA-N
MW312.14 g/mol
LogP2.81
Rot. Bonds2

About 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine

2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine (PubChem CID 175920701) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
PubChem CID175920701
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
SMILESFc1ccc(-c2nn([C@@H]3CCOC3)cc2Br)nc1
InChIInChI=1S/C12H11BrFN3O/c13-10-6-17(9-3-4-18-7-9)16-12(10)11-2-1-8(14)5-15-11/h1-2,5-6,9H,3-4,7H2/t9-/m1/s1
InChIKeyQIAFIGMLENMVSR-SECBINFHSA-N
XLogP2.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine?
The IUPAC name of 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine (CID 175920701) is 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine?
The canonical SMILES for 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine is Fc1ccc(-c2nn([C@@H]3CCOC3)cc2Br)nc1.
What is the InChIKey of 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine?
The InChIKey is QIAFIGMLENMVSR-SECBINFHSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c13-10-6-17(9-3-4-18-7-9)16-12(10)11-2-1-8(14)5-15-11/h1-2,5-6,9H,3-4,7H2/t9-/m1/s1.
What are the key properties of 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine?
2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine has a molecular weight of 312.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine is sourced from PubChem (CID 175920701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).