2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine

C10H10ClN3 — CID 62239528

IUPAC2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine
SMILESCc1cnn(-c2cccc(CCl)n2)c1
InChIInChI=1S/C10H10ClN3/c1-8-6-12-14(7-8)10-4-2-3-9(5-11)13-10/h2-4,6-7H,5H2,1H3
InChIKeyOHHZLDYMFKVDQN-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.31
Rot. Bonds2

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

2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine (PubChem CID 62239528) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine
PubChem CID62239528
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine
SMILESCc1cnn(-c2cccc(CCl)n2)c1
InChIInChI=1S/C10H10ClN3/c1-8-6-12-14(7-8)10-4-2-3-9(5-11)13-10/h2-4,6-7H,5H2,1H3
InChIKeyOHHZLDYMFKVDQN-UHFFFAOYSA-N
XLogP2.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.31
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 2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine?
The IUPAC name of 2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine (CID 62239528) is 2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine is Cc1cnn(-c2cccc(CCl)n2)c1.
What is the InChIKey of 2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine?
The InChIKey is OHHZLDYMFKVDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-8-6-12-14(7-8)10-4-2-3-9(5-11)13-10/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine?
2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine has a molecular weight of 207.66 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(4-methylpyrazol-1-yl)pyridine is sourced from PubChem (CID 62239528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).