4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine

C10H9ClFN3 — CID 105383707

IUPAC4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1nccc(CCl)c1F
InChIInChI=1S/C10H9ClFN3/c1-7-13-4-5-15(7)10-9(12)8(6-11)2-3-14-10/h2-5H,6H2,1H3
InChIKeySTKWSLFRABLGIK-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.45
Rot. Bonds2

About 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine

4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine (PubChem CID 105383707) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine
PubChem CID105383707
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1nccc(CCl)c1F
InChIInChI=1S/C10H9ClFN3/c1-7-13-4-5-15(7)10-9(12)8(6-11)2-3-14-10/h2-5H,6H2,1H3
InChIKeySTKWSLFRABLGIK-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole
CID 43313562
4-(chloromethyl)-2-(3,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine
CID 105383656
[2-(2-ethylimidazol-1-yl)-3-fluoro-4-pyridinyl]methanol
CID 105383215
5-(chloromethyl)-4-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 83184417
1-[3-fluoro-2-(2-propylimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105390662
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)-3-fluoropyridine
CID 105383508
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-3-fluoropyridine
CID 105383470
4-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-1,4-thiazepane
CID 105383521
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole
CID 28946545
1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501441
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine (CID 105383707) is 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine is Cc1nccn1-c1nccc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine?
The InChIKey is STKWSLFRABLGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-7-13-4-5-15(7)10-9(12)8(6-11)2-3-14-10/h2-5H,6H2,1H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine?
4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine has a molecular weight of 225.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 105383707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).