3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine

C12H7ClF7N3O — CID 19789830

IUPAC3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine
SMILESCc1c(C(F)(F)C(F)(F)F)ncn1-c1ncc(OC(F)F)cc1Cl
InChIInChI=1S/C12H7ClF7N3O/c1-5-8(11(16,17)12(18,19)20)22-4-23(5)9-7(13)2-6(3-21-9)24-10(14)15/h2-4,10H,1H3
InChIKeyUBNOHJQOYYOMEA-UHFFFAOYSA-N
MW377.65 g/mol
LogP4.48
Rot. Bonds4

About 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine

3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine (PubChem CID 19789830) has the molecular formula C12H7ClF7N3O and a molecular weight of 377.65 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine
PubChem CID19789830
Molecular FormulaC12H7ClF7N3O
Molecular Weight377.65 g/mol
Exact Mass377.02
IUPAC Name3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine
SMILESCc1c(C(F)(F)C(F)(F)F)ncn1-c1ncc(OC(F)F)cc1Cl
InChIInChI=1S/C12H7ClF7N3O/c1-5-8(11(16,17)12(18,19)20)22-4-23(5)9-7(13)2-6(3-21-9)24-10(14)15/h2-4,10H,1H3
InChIKeyUBNOHJQOYYOMEA-UHFFFAOYSA-N
XLogP4.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine?
The IUPAC name of 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine (CID 19789830) is 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine.
What is the SMILES notation for 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine?
The canonical SMILES for 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine is Cc1c(C(F)(F)C(F)(F)F)ncn1-c1ncc(OC(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine?
The InChIKey is UBNOHJQOYYOMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF7N3O/c1-5-8(11(16,17)12(18,19)20)22-4-23(5)9-7(13)2-6(3-21-9)24-10(14)15/h2-4,10H,1H3.
What are the key properties of 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine?
3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine has a molecular weight of 377.65 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(difluoromethoxy)-2-[5-methyl-4-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine is sourced from PubChem (CID 19789830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).