2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine

C10H8BrF2N3 — CID 118322290

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine
SMILESCc1nn(C)c(-c2ncc(F)cc2F)c1Br
InChIInChI=1S/C10H8BrF2N3/c1-5-8(11)10(16(2)15-5)9-7(13)3-6(12)4-14-9/h3-4H,1-2H3
InChIKeyFGUJWWLVRNMUSF-UHFFFAOYSA-N
MW288.10 g/mol
LogP2.83
Rot. Bonds1

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine (PubChem CID 118322290) has the molecular formula C10H8BrF2N3 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine
PubChem CID118322290
Molecular FormulaC10H8BrF2N3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine
SMILESCc1nn(C)c(-c2ncc(F)cc2F)c1Br
InChIInChI=1S/C10H8BrF2N3/c1-5-8(11)10(16(2)15-5)9-7(13)3-6(12)4-14-9/h3-4H,1-2H3
InChIKeyFGUJWWLVRNMUSF-UHFFFAOYSA-N
XLogP2.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine (CID 118322290) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine is Cc1nn(C)c(-c2ncc(F)cc2F)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine?
The InChIKey is FGUJWWLVRNMUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3/c1-5-8(11)10(16(2)15-5)9-7(13)3-6(12)4-14-9/h3-4H,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine has a molecular weight of 288.10 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-3,5-difluoropyridine is sourced from PubChem (CID 118322290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).