3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine

C10H10BrN3 — CID 90289026

IUPAC3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine
SMILESCc1ncccc1-c1nn(C)cc1Br
InChIInChI=1S/C10H10BrN3/c1-7-8(4-3-5-12-7)10-9(11)6-14(2)13-10/h3-6H,1-2H3
InChIKeyWMTGBMDNFNQQQK-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.55
Rot. Bonds1

About 3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine

3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine (PubChem CID 90289026) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine
PubChem CID90289026
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine
SMILESCc1ncccc1-c1nn(C)cc1Br
InChIInChI=1S/C10H10BrN3/c1-7-8(4-3-5-12-7)10-9(11)6-14(2)13-10/h3-6H,1-2H3
InChIKeyWMTGBMDNFNQQQK-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-methylpyrazol-3-yl)-2-methylpyridine?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine (CID 90289026) is 3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine is Cc1ncccc1-c1nn(C)cc1Br.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine?
The InChIKey is WMTGBMDNFNQQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-8(4-3-5-12-7)10-9(11)6-14(2)13-10/h3-6H,1-2H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine?
3-(4-bromo-1-methylpyrazol-3-yl)-2-methylpyridine 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-methylpyrazol-3-yl)-2-methylpyridine is sourced from PubChem (CID 90289026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).