6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde

C10H7F2N3O — CID 178012633

IUPAC6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c([C@@H]2C[C@H]2F)nc2ncc(F)cn12
InChIInChI=1S/C10H7F2N3O/c11-5-2-13-10-14-9(6-1-7(6)12)8(4-16)15(10)3-5/h2-4,6-7H,1H2/t6-,7-/m1/s1
InChIKeyFOTIYQBNWSEGRJ-RNFRBKRXSA-N
MW223.18 g/mol
LogP1.51
Rot. Bonds2

About 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde

6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 178012633) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID178012633
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c([C@@H]2C[C@H]2F)nc2ncc(F)cn12
InChIInChI=1S/C10H7F2N3O/c11-5-2-13-10-14-9(6-1-7(6)12)8(4-16)15(10)3-5/h2-4,6-7H,1H2/t6-,7-/m1/s1
InChIKeyFOTIYQBNWSEGRJ-RNFRBKRXSA-N
XLogP1.51
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 178012633) is 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c([C@@H]2C[C@H]2F)nc2ncc(F)cn12.
What is the InChIKey of 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is FOTIYQBNWSEGRJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-5-2-13-10-14-9(6-1-7(6)12)8(4-16)15(10)3-5/h2-4,6-7H,1H2/t6-,7-/m1/s1.
What are the key properties of 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde?
6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 223.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(1S,2R)-2-fluorocyclopropyl]imidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 178012633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).