3-(4-bromopyrazol-1-yl)-2-methoxypyridine

C9H8BrN3O — CID 172590357

IUPAC3-(4-bromopyrazol-1-yl)-2-methoxypyridine
SMILESCOc1ncccc1-n1cc(Br)cn1
InChIInChI=1S/C9H8BrN3O/c1-14-9-8(3-2-4-11-9)13-6-7(10)5-12-13/h2-6H,1H3
InChIKeyUURRFQRDQDWACZ-UHFFFAOYSA-N
MW254.09 g/mol
LogP2.04
Rot. Bonds2

About 3-(4-bromopyrazol-1-yl)-2-methoxypyridine

3-(4-bromopyrazol-1-yl)-2-methoxypyridine (PubChem CID 172590357) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-2-methoxypyridine.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-2-methoxypyridine
PubChem CID172590357
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name3-(4-bromopyrazol-1-yl)-2-methoxypyridine
SMILESCOc1ncccc1-n1cc(Br)cn1
InChIInChI=1S/C9H8BrN3O/c1-14-9-8(3-2-4-11-9)13-6-7(10)5-12-13/h2-6H,1H3
InChIKeyUURRFQRDQDWACZ-UHFFFAOYSA-N
XLogP2.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-2-methoxypyridine?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-2-methoxypyridine (CID 172590357) is 3-(4-bromopyrazol-1-yl)-2-methoxypyridine.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-2-methoxypyridine?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-2-methoxypyridine is COc1ncccc1-n1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-2-methoxypyridine?
The InChIKey is UURRFQRDQDWACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-14-9-8(3-2-4-11-9)13-6-7(10)5-12-13/h2-6H,1H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-2-methoxypyridine?
3-(4-bromopyrazol-1-yl)-2-methoxypyridine has a molecular weight of 254.09 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-2-methoxypyridine is sourced from PubChem (CID 172590357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).