6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine

C8H6BrF2N3 — CID 178122032

IUPAC6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine
SMILESCn1c(C(F)F)nc2cnc(Br)cc21
InChIInChI=1S/C8H6BrF2N3/c1-14-5-2-6(9)12-3-4(5)13-8(14)7(10)11/h2-3,7H,1H3
InChIKeyCLHQWIBBXIGODX-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.67
Rot. Bonds1

About 6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine

6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine (PubChem CID 178122032) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine
PubChem CID178122032
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine
SMILESCn1c(C(F)F)nc2cnc(Br)cc21
InChIInChI=1S/C8H6BrF2N3/c1-14-5-2-6(9)12-3-4(5)13-8(14)7(10)11/h2-3,7H,1H3
InChIKeyCLHQWIBBXIGODX-UHFFFAOYSA-N
XLogP2.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine?
The IUPAC name of 6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine (CID 178122032) is 6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine is Cn1c(C(F)F)nc2cnc(Br)cc21.
What is the InChIKey of 6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine?
The InChIKey is CLHQWIBBXIGODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c1-14-5-2-6(9)12-3-4(5)13-8(14)7(10)11/h2-3,7H,1H3.
What are the key properties of 6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine?
6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine has a molecular weight of 262.06 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(difluoromethyl)-1-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 178122032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).