3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine

C10H10BrN3 — CID 83728159

IUPAC3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
SMILESCc1c(Br)c(-c2cccnc2)nn1C
InChIInChI=1S/C10H10BrN3/c1-7-9(11)10(13-14(7)2)8-4-3-5-12-6-8/h3-6H,1-2H3
InChIKeySHVVNZVJEGWKEP-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.55
Rot. Bonds1

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

3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine (PubChem CID 83728159) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
PubChem CID83728159
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
SMILESCc1c(Br)c(-c2cccnc2)nn1C
InChIInChI=1S/C10H10BrN3/c1-7-9(11)10(13-14(7)2)8-4-3-5-12-6-8/h3-6H,1-2H3
InChIKeySHVVNZVJEGWKEP-UHFFFAOYSA-N
XLogP2.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine?
The IUPAC name of 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine (CID 83728159) is 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine is Cc1c(Br)c(-c2cccnc2)nn1C.
What is the InChIKey of 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine?
The InChIKey is SHVVNZVJEGWKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-9(11)10(13-14(7)2)8-4-3-5-12-6-8/h3-6H,1-2H3.
What are the key properties of 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine?
3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine has a molecular weight of 252.12 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine is sourced from PubChem (CID 83728159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).