2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine

C9H7F2N3 — CID 157368022

IUPAC2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine
SMILESCc1cnc(-c2ccc(F)nc2F)[nH]1
InChIInChI=1S/C9H7F2N3/c1-5-4-12-9(13-5)6-2-3-7(10)14-8(6)11/h2-4H,1H3,(H,12,13)
InChIKeyDDXFQWPIVXJHQD-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.06
Rot. Bonds1

About 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine

2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine (PubChem CID 157368022) has the molecular formula C9H7F2N3 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine
PubChem CID157368022
Molecular FormulaC9H7F2N3
Molecular Weight195.17 g/mol
Exact Mass195.06
IUPAC Name2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine
SMILESCc1cnc(-c2ccc(F)nc2F)[nH]1
InChIInChI=1S/C9H7F2N3/c1-5-4-12-9(13-5)6-2-3-7(10)14-8(6)11/h2-4H,1H3,(H,12,13)
InChIKeyDDXFQWPIVXJHQD-UHFFFAOYSA-N
XLogP2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine?
The IUPAC name of 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine (CID 157368022) is 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine?
The canonical SMILES for 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine is Cc1cnc(-c2ccc(F)nc2F)[nH]1.
What is the InChIKey of 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine?
The InChIKey is DDXFQWPIVXJHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3/c1-5-4-12-9(13-5)6-2-3-7(10)14-8(6)11/h2-4H,1H3,(H,12,13).
What are the key properties of 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine?
2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine has a molecular weight of 195.17 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(5-methyl-1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 157368022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).