3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine

C12H14ClN3 — CID 62490039

IUPAC3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine
SMILESCc1cc(C)c(CCl)c(-n2ccc(C)n2)n1
InChIInChI=1S/C12H14ClN3/c1-8-6-10(3)14-12(11(8)7-13)16-5-4-9(2)15-16/h4-6H,7H2,1-3H3
InChIKeyQMFRTPCOHXIPGY-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.93
Rot. Bonds2

About 3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine

3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine (PubChem CID 62490039) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine
PubChem CID62490039
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine
SMILESCc1cc(C)c(CCl)c(-n2ccc(C)n2)n1
InChIInChI=1S/C12H14ClN3/c1-8-6-10(3)14-12(11(8)7-13)16-5-4-9(2)15-16/h4-6H,7H2,1-3H3
InChIKeyQMFRTPCOHXIPGY-UHFFFAOYSA-N
XLogP2.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.93
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)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine (CID 62490039) is 3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine is Cc1cc(C)c(CCl)c(-n2ccc(C)n2)n1.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine?
The InChIKey is QMFRTPCOHXIPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-6-10(3)14-12(11(8)7-13)16-5-4-9(2)15-16/h4-6H,7H2,1-3H3.
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine?
3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine has a molecular weight of 235.72 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-2-(3-methylpyrazol-1-yl)pyridine is sourced from PubChem (CID 62490039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).