5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine

C8H8FN3 — CID 145259416

IUPAC5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine
SMILESC=C1c2nc[nH]c2C=C(C)N1F
InChIInChI=1S/C8H8FN3/c1-5-3-7-8(11-4-10-7)6(2)12(5)9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyVHMLNTNQQDPONV-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.94
Rot. Bonds

About 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine

5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine (PubChem CID 145259416) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine
PubChem CID145259416
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine
SMILESC=C1c2nc[nH]c2C=C(C)N1F
InChIInChI=1S/C8H8FN3/c1-5-3-7-8(11-4-10-7)6(2)12(5)9/h3-4H,2H2,1H3,(H,10,11)
InChIKeyVHMLNTNQQDPONV-UHFFFAOYSA-N
XLogP1.94
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine (CID 145259416) is 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine is C=C1c2nc[nH]c2C=C(C)N1F.
What is the InChIKey of 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine?
The InChIKey is VHMLNTNQQDPONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3/c1-5-3-7-8(11-4-10-7)6(2)12(5)9/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine?
5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine has a molecular weight of 165.17 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-4-methylidene-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145259416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).