3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole

C18H17BrF2N6 — CID 160705854

IUPAC3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole
SMILESCc1ccn(-c2cncc(F)c2)n1.Cc1ccn[nH]1.Fc1cncc(Br)c1
InChIInChI=1S/C9H8FN3.C5H3BrFN.C4H6N2/c1-7-2-3-13(12-7)9-4-8(10)5-11-6-9;6-4-1-5(7)3-8-2-4;1-4-2-3-5-6-4/h2-6H,1H3;1-3H;2-3H,1H3,(H,5,6)
InChIKeyRRFIQGOOKLNNSQ-UHFFFAOYSA-N
MW435.28 g/mol
LogP4.42
Rot. Bonds1

About 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole

3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole (PubChem CID 160705854) has the molecular formula C18H17BrF2N6 and a molecular weight of 435.28 g/mol. Its IUPAC name is 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole
PubChem CID160705854
Molecular FormulaC18H17BrF2N6
Molecular Weight435.28 g/mol
Exact Mass434.07
IUPAC Name3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole
SMILESCc1ccn(-c2cncc(F)c2)n1.Cc1ccn[nH]1.Fc1cncc(Br)c1
InChIInChI=1S/C9H8FN3.C5H3BrFN.C4H6N2/c1-7-2-3-13(12-7)9-4-8(10)5-11-6-9;6-4-1-5(7)3-8-2-4;1-4-2-3-5-6-4/h2-6H,1H3;1-3H;2-3H,1H3,(H,5,6)
InChIKeyRRFIQGOOKLNNSQ-UHFFFAOYSA-N
XLogP4.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole?
The IUPAC name of 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole (CID 160705854) is 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole.
What is the SMILES notation for 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole?
The canonical SMILES for 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole is Cc1ccn(-c2cncc(F)c2)n1.Cc1ccn[nH]1.Fc1cncc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole?
The InChIKey is RRFIQGOOKLNNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3.C5H3BrFN.C4H6N2/c1-7-2-3-13(12-7)9-4-8(10)5-11-6-9;6-4-1-5(7)3-8-2-4;1-4-2-3-5-6-4/h2-6H,1H3;1-3H;2-3H,1H3,(H,5,6).
What are the key properties of 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole?
3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole has a molecular weight of 435.28 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoropyridine;3-fluoro-5-(3-methylpyrazol-1-yl)pyridine;5-methyl-1H-pyrazole is sourced from PubChem (CID 160705854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).