2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine

C10H10ClN3 — CID 56828028

IUPAC2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine
SMILESCc1cc(C)n(-c2ccc(Cl)nc2)n1
InChIInChI=1S/C10H10ClN3/c1-7-5-8(2)14(13-7)9-3-4-10(11)12-6-9/h3-6H,1-2H3
InChIKeyPPJSYJLCCJUUOH-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.54
Rot. Bonds1

About 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine

2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine (PubChem CID 56828028) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine
PubChem CID56828028
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine
SMILESCc1cc(C)n(-c2ccc(Cl)nc2)n1
InChIInChI=1S/C10H10ClN3/c1-7-5-8(2)14(13-7)9-3-4-10(11)12-6-9/h3-6H,1-2H3
InChIKeyPPJSYJLCCJUUOH-UHFFFAOYSA-N
XLogP2.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine?
The IUPAC name of 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine (CID 56828028) is 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine is Cc1cc(C)n(-c2ccc(Cl)nc2)n1.
What is the InChIKey of 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine?
The InChIKey is PPJSYJLCCJUUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-7-5-8(2)14(13-7)9-3-4-10(11)12-6-9/h3-6H,1-2H3.
What are the key properties of 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine?
2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine has a molecular weight of 207.66 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dimethylpyrazol-1-yl)pyridine is sourced from PubChem (CID 56828028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).