3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine

C12H13Cl2N3 — CID 61256214

IUPAC3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
SMILESCc1nn(-c2ccc(Cl)c(CCl)n2)c(C)c1C
InChIInChI=1S/C12H13Cl2N3/c1-7-8(2)16-17(9(7)3)12-5-4-10(14)11(6-13)15-12/h4-5H,6H2,1-3H3
InChIKeyUIJJJJKHGMQCQO-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.58
Rot. Bonds2

About 3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine

3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine (PubChem CID 61256214) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
PubChem CID61256214
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
SMILESCc1nn(-c2ccc(Cl)c(CCl)n2)c(C)c1C
InChIInChI=1S/C12H13Cl2N3/c1-7-8(2)16-17(9(7)3)12-5-4-10(14)11(6-13)15-12/h4-5H,6H2,1-3H3
InChIKeyUIJJJJKHGMQCQO-UHFFFAOYSA-N
XLogP3.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.58
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-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine (CID 61256214) is 3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine is Cc1nn(-c2ccc(Cl)c(CCl)n2)c(C)c1C.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine?
The InChIKey is UIJJJJKHGMQCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-7-8(2)16-17(9(7)3)12-5-4-10(14)11(6-13)15-12/h4-5H,6H2,1-3H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine?
3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine has a molecular weight of 270.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine is sourced from PubChem (CID 61256214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).