6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine

C13H10ClF2N5 — CID 155281818

IUPAC6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(F)nc(-c3nc(Cl)ncc3F)cc21
InChIInChI=1S/C13H10ClF2N5/c1-6(2)21-5-18-11-9(21)3-8(19-12(11)16)10-7(15)4-17-13(14)20-10/h3-6H,1-2H3
InChIKeyRBQODKBDCRESRH-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.40
Rot. Bonds2

About 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine

6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 155281818) has the molecular formula C13H10ClF2N5 and a molecular weight of 309.71 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID155281818
Molecular FormulaC13H10ClF2N5
Molecular Weight309.71 g/mol
Exact Mass309.06
IUPAC Name6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c(F)nc(-c3nc(Cl)ncc3F)cc21
InChIInChI=1S/C13H10ClF2N5/c1-6(2)21-5-18-11-9(21)3-8(19-12(11)16)10-7(15)4-17-13(14)20-10/h3-6H,1-2H3
InChIKeyRBQODKBDCRESRH-UHFFFAOYSA-N
XLogP3.40
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine (CID 155281818) is 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine is CC(C)n1cnc2c(F)nc(-c3nc(Cl)ncc3F)cc21.
What is the InChIKey of 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is RBQODKBDCRESRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2N5/c1-6(2)21-5-18-11-9(21)3-8(19-12(11)16)10-7(15)4-17-13(14)20-10/h3-6H,1-2H3.
What are the key properties of 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine?
6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 309.71 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 155281818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).