5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine

C9H10FN3 — CID 129304090

IUPAC5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine
SMILESCc1cnc(C2C=CC(F)=CN2)[nH]1
InChIInChI=1S/C9H10FN3/c1-6-4-12-9(13-6)8-3-2-7(10)5-11-8/h2-5,8,11H,1H3,(H,12,13)
InChIKeyCYECQUNVKHQGPV-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.73
Rot. Bonds1

About 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine

5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine (PubChem CID 129304090) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine
PubChem CID129304090
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine
SMILESCc1cnc(C2C=CC(F)=CN2)[nH]1
InChIInChI=1S/C9H10FN3/c1-6-4-12-9(13-6)8-3-2-7(10)5-11-8/h2-5,8,11H,1H3,(H,12,13)
InChIKeyCYECQUNVKHQGPV-UHFFFAOYSA-N
XLogP1.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine?
The IUPAC name of 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine (CID 129304090) is 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine is Cc1cnc(C2C=CC(F)=CN2)[nH]1.
What is the InChIKey of 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine?
The InChIKey is CYECQUNVKHQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-6-4-12-9(13-6)8-3-2-7(10)5-11-8/h2-5,8,11H,1H3,(H,12,13).
What are the key properties of 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine?
5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine has a molecular weight of 179.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-methyl-1H-imidazol-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 129304090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).