3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine

C9H7BrIN3 — CID 105367487

IUPAC3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine
SMILESCc1cnc(-n2cc(I)cn2)c(Br)c1
InChIInChI=1S/C9H7BrIN3/c1-6-2-8(10)9(12-3-6)14-5-7(11)4-13-14/h2-5H,1H3
InChIKeyDXTQFJRBDCLKOY-UHFFFAOYSA-N
MW363.98 g/mol
LogP2.94
Rot. Bonds1

About 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine

3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine (PubChem CID 105367487) has the molecular formula C9H7BrIN3 and a molecular weight of 363.98 g/mol. Its IUPAC name is 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine
PubChem CID105367487
Molecular FormulaC9H7BrIN3
Molecular Weight363.98 g/mol
Exact Mass362.89
IUPAC Name3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine
SMILESCc1cnc(-n2cc(I)cn2)c(Br)c1
InChIInChI=1S/C9H7BrIN3/c1-6-2-8(10)9(12-3-6)14-5-7(11)4-13-14/h2-5H,1H3
InChIKeyDXTQFJRBDCLKOY-UHFFFAOYSA-N
XLogP2.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.98
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine?
The IUPAC name of 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine (CID 105367487) is 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine.
What is the SMILES notation for 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine?
The canonical SMILES for 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine is Cc1cnc(-n2cc(I)cn2)c(Br)c1.
What is the InChIKey of 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine?
The InChIKey is DXTQFJRBDCLKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrIN3/c1-6-2-8(10)9(12-3-6)14-5-7(11)4-13-14/h2-5H,1H3.
What are the key properties of 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine?
3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine has a molecular weight of 363.98 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(4-iodopyrazol-1-yl)-5-methylpyridine is sourced from PubChem (CID 105367487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).