6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine

C9H6BrCl2N3 — CID 61256204

IUPAC6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine
SMILESClCc1nc(-n2cc(Br)cn2)ccc1Cl
InChIInChI=1S/C9H6BrCl2N3/c10-6-4-13-15(5-6)9-2-1-7(12)8(3-11)14-9/h1-2,4-5H,3H2
InChIKeyNHAMNBOJQITDJS-UHFFFAOYSA-N
MW306.98 g/mol
LogP3.42
Rot. Bonds2

About 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine

6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine (PubChem CID 61256204) has the molecular formula C9H6BrCl2N3 and a molecular weight of 306.98 g/mol. Its IUPAC name is 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine.

Molecular Properties

Compound Name6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine
PubChem CID61256204
Molecular FormulaC9H6BrCl2N3
Molecular Weight306.98 g/mol
Exact Mass304.91
IUPAC Name6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine
SMILESClCc1nc(-n2cc(Br)cn2)ccc1Cl
InChIInChI=1S/C9H6BrCl2N3/c10-6-4-13-15(5-6)9-2-1-7(12)8(3-11)14-9/h1-2,4-5H,3H2
InChIKeyNHAMNBOJQITDJS-UHFFFAOYSA-N
XLogP3.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.98
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine?
The IUPAC name of 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine (CID 61256204) is 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine.
What is the SMILES notation for 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine?
The canonical SMILES for 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine is ClCc1nc(-n2cc(Br)cn2)ccc1Cl.
What is the InChIKey of 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine?
The InChIKey is NHAMNBOJQITDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrCl2N3/c10-6-4-13-15(5-6)9-2-1-7(12)8(3-11)14-9/h1-2,4-5H,3H2.
What are the key properties of 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine?
6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine has a molecular weight of 306.98 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromopyrazol-1-yl)-3-chloro-2-(chloromethyl)pyridine is sourced from PubChem (CID 61256204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).