3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine

C15H12ClN3 — CID 81234038

IUPAC3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine
SMILESClCc1cnccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H12ClN3/c16-8-13-9-17-7-6-15(13)19-11-14(10-18-19)12-4-2-1-3-5-12/h1-7,9-11H,8H2
InChIKeyRWBDEEOTBRUETR-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.67
Rot. Bonds3

About 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine

3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine (PubChem CID 81234038) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine
PubChem CID81234038
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine
SMILESClCc1cnccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H12ClN3/c16-8-13-9-17-7-6-15(13)19-11-14(10-18-19)12-4-2-1-3-5-12/h1-7,9-11H,8H2
InChIKeyRWBDEEOTBRUETR-UHFFFAOYSA-N
XLogP3.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.67
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 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine (CID 81234038) is 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine is ClCc1cnccc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine?
The InChIKey is RWBDEEOTBRUETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-8-13-9-17-7-6-15(13)19-11-14(10-18-19)12-4-2-1-3-5-12/h1-7,9-11H,8H2.
What are the key properties of 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine?
3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine has a molecular weight of 269.74 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine is sourced from PubChem (CID 81234038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).