4,7-difluoro-3H-imidazo[4,5-c]pyridine

C6H3F2N3 — CID 58329276

IUPAC4,7-difluoro-3H-imidazo[4,5-c]pyridine
SMILESFc1cnc(F)c2[nH]cnc12
InChIInChI=1S/C6H3F2N3/c7-3-1-9-6(8)5-4(3)10-2-11-5/h1-2H,(H,10,11)
InChIKeyQBPJSVISRPFKIQ-UHFFFAOYSA-N
MW155.11 g/mol
LogP1.24
Rot. Bonds

About 4,7-difluoro-3H-imidazo[4,5-c]pyridine

4,7-difluoro-3H-imidazo[4,5-c]pyridine (PubChem CID 58329276) has the molecular formula C6H3F2N3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4,7-difluoro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4,7-difluoro-3H-imidazo[4,5-c]pyridine
PubChem CID58329276
Molecular FormulaC6H3F2N3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name4,7-difluoro-3H-imidazo[4,5-c]pyridine
SMILESFc1cnc(F)c2[nH]cnc12
InChIInChI=1S/C6H3F2N3/c7-3-1-9-6(8)5-4(3)10-2-11-5/h1-2H,(H,10,11)
InChIKeyQBPJSVISRPFKIQ-UHFFFAOYSA-N
XLogP1.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 51.24
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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Related Compounds

7-fluoro-4-methyl-3H-benzimidazol-5-amine;hydrochloride
CID 18785143
7-fluoro-1H-imidazo[4,5-b]pyridine
CID 119084499
6,7-difluoro-3H-benzimidazole-4-carboxamide
CID 130980136
7-bromo-5-fluoro-3H-benzimidazole-4-carboxamide
CID 118338379
methyl 6,7-difluoro-3H-benzimidazole-4-carboxylate
CID 122686803
4-fluoro-6-methylsulfanyl-1H-benzimidazole
CID 130838314
4-methylsulfanyl-1H-imidazo[4,5-d]pyridazine
CID 5469591
7-methylsulfanyl-1H-benzimidazol-4-ol
CID 130770663
4-fluoro-5-methoxy-1H-benzimidazole
CID 130850479
4-(bromomethyl)-5-fluoro-1H-benzimidazole
CID 130770591
4-chloro-5H-imidazo[4,5-c]pyridazine
CID 6399288
5H-imidazo[4,5-c]pyridazin-4-amine
CID 5357638

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 4,7-difluoro-3H-imidazo[4,5-c]pyridine (CID 58329276) is 4,7-difluoro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4,7-difluoro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4,7-difluoro-3H-imidazo[4,5-c]pyridine is Fc1cnc(F)c2[nH]cnc12.
What is the InChIKey of 4,7-difluoro-3H-imidazo[4,5-c]pyridine?
The InChIKey is QBPJSVISRPFKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2N3/c7-3-1-9-6(8)5-4(3)10-2-11-5/h1-2H,(H,10,11).
What are the key properties of 4,7-difluoro-3H-imidazo[4,5-c]pyridine?
4,7-difluoro-3H-imidazo[4,5-c]pyridine has a molecular weight of 155.11 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 58329276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).