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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Related Compounds

2-chloro-5-fluoro-4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidine
CID 130301051
6-(5-chloro-2-methylpyrimidin-4-yl)-4-fluoro-1-propan-2-ylbenzimidazole;ethane
CID 176685593
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
CID 175557907
4-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
CID 155282347
2-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-ylquinoline
CID 170319291
2-chloro-4-(2,6-dimethoxypyrimidin-4-yl)-5-fluoropyrimidine
CID 166859597
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155282165
7-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-4-amine
CID 126489243
5-(2-chloro-5-fluoropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazole
CID 164588484
5-(2-chloro-5-fluoropyrimidin-4-yl)-7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155281833
4-ethyl-1-[6-[[5-fluoro-4-(4-methoxy-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]methyl]-3-pyridinyl]piperazin-2-one
CID 167605122
6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole
CID 145177684

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).