2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine

C9H6F3N3 — CID 165493614

IUPAC2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine
SMILESCn1cncc1-c1cc(F)c(F)nc1F
InChIInChI=1S/C9H6F3N3/c1-15-4-13-3-7(15)5-2-6(10)9(12)14-8(5)11/h2-4H,1H3
InChIKeyFXKIXQQQMJMELP-UHFFFAOYSA-N
MW213.16 g/mol
LogP1.90
Rot. Bonds1

About 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine

2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine (PubChem CID 165493614) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine.

Molecular Properties

Compound Name2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine
PubChem CID165493614
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine
SMILESCn1cncc1-c1cc(F)c(F)nc1F
InChIInChI=1S/C9H6F3N3/c1-15-4-13-3-7(15)5-2-6(10)9(12)14-8(5)11/h2-4H,1H3
InChIKeyFXKIXQQQMJMELP-UHFFFAOYSA-N
XLogP1.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 51.90
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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Related Compounds

Trim
CID 1359
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
3-(1H-imidazol-5-yl)pyridine
CID 3040177
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
CID 12002825
Immethridine
CID 9989505
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
VK-19911
CID 9797240
FR-79620
CID 10421577
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
SB-216995
CID 5171
3-Phenylimidazo(1,5-a)pyridine
CID 606670

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine?
The IUPAC name of 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine (CID 165493614) is 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine.
What is the SMILES notation for 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine?
The canonical SMILES for 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine is Cn1cncc1-c1cc(F)c(F)nc1F.
What is the InChIKey of 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine?
The InChIKey is FXKIXQQQMJMELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c1-15-4-13-3-7(15)5-2-6(10)9(12)14-8(5)11/h2-4H,1H3.
What are the key properties of 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine?
2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine has a molecular weight of 213.16 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-5-(3-methylimidazol-4-yl)pyridine is sourced from PubChem (CID 165493614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).