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

C13H15Cl2N3 — CID 82694164

IUPAC3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine
SMILESCCc1cc(CC)n(-c2ccc(Cl)c(CCl)n2)n1
InChIInChI=1S/C13H15Cl2N3/c1-3-9-7-10(4-2)18(17-9)13-6-5-11(15)12(8-14)16-13/h5-7H,3-4,8H2,1-2H3
InChIKeyMGHPNAOYJLCZQN-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.78
Rot. Bonds4

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

3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine (PubChem CID 82694164) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine
PubChem CID82694164
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine
SMILESCCc1cc(CC)n(-c2ccc(Cl)c(CCl)n2)n1
InChIInChI=1S/C13H15Cl2N3/c1-3-9-7-10(4-2)18(17-9)13-6-5-11(15)12(8-14)16-13/h5-7H,3-4,8H2,1-2H3
InChIKeyMGHPNAOYJLCZQN-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[3-chloro-6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 82699289
3-chloro-2-(chloromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 61256214
[6-(3,5-diethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 82693564
6-(3,5-diethylpyrazol-1-yl)-N-ethylpyridin-2-amine
CID 82699860
6-(3,5-diethylpyrazol-1-yl)-N-propylpyridin-2-amine
CID 82699859
6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid
CID 82693003
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114927493
4-(chloromethyl)-3-(3,5-diethylpyrazol-1-yl)pyridine
CID 105067574
6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxamide
CID 82699978
3,5-dichloro-2-(3,5-diethylpyrazol-1-yl)pyridine
CID 82698804
4-(3,5-diethylpyrazol-1-yl)pyridine
CID 82700412
4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 82698668

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine (CID 82694164) is 3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine is CCc1cc(CC)n(-c2ccc(Cl)c(CCl)n2)n1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine?
The InChIKey is MGHPNAOYJLCZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-3-9-7-10(4-2)18(17-9)13-6-5-11(15)12(8-14)16-13/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine?
3-chloro-2-(chloromethyl)-6-(3,5-diethylpyrazol-1-yl)pyridine has a molecular weight of 284.19 g/mol, XLogP of 3.78, 4 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-(3,5-diethylpyrazol-1-yl)pyridine is sourced from PubChem (CID 82694164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).