2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine

C12H13BrFN3 — CID 135223326

IUPAC2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine
SMILESCc1cccc(-c2ncn(CCCF)c2Br)n1
InChIInChI=1S/C12H13BrFN3/c1-9-4-2-5-10(16-9)11-12(13)17(8-15-11)7-3-6-14/h2,4-5,8H,3,6-7H2,1H3
InChIKeyKMPSAVHKQLRSDA-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.38
Rot. Bonds4

About 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine

2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine (PubChem CID 135223326) has the molecular formula C12H13BrFN3 and a molecular weight of 298.16 g/mol. Its IUPAC name is 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine
PubChem CID135223326
Molecular FormulaC12H13BrFN3
Molecular Weight298.16 g/mol
Exact Mass297.03
IUPAC Name2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine
SMILESCc1cccc(-c2ncn(CCCF)c2Br)n1
InChIInChI=1S/C12H13BrFN3/c1-9-4-2-5-10(16-9)11-12(13)17(8-15-11)7-3-6-14/h2,4-5,8H,3,6-7H2,1H3
InChIKeyKMPSAVHKQLRSDA-UHFFFAOYSA-N
XLogP3.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine?
The IUPAC name of 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine (CID 135223326) is 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine.
What is the SMILES notation for 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine?
The canonical SMILES for 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine is Cc1cccc(-c2ncn(CCCF)c2Br)n1.
What is the InChIKey of 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine?
The InChIKey is KMPSAVHKQLRSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN3/c1-9-4-2-5-10(16-9)11-12(13)17(8-15-11)7-3-6-14/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine?
2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine has a molecular weight of 298.16 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(3-fluoropropyl)imidazol-4-yl]-6-methylpyridine is sourced from PubChem (CID 135223326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).