2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine

C11H11Cl2N3 — CID 86659391

IUPAC2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
SMILESCC(C)n1cc(-c2cc(Cl)nc(Cl)c2)cn1
InChIInChI=1S/C11H11Cl2N3/c1-7(2)16-6-9(5-14-16)8-3-10(12)15-11(13)4-8/h3-7H,1-2H3
InChIKeyCBFCHYFBCMJODW-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.83
Rot. Bonds2

About 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine

2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine (PubChem CID 86659391) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
PubChem CID86659391
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
SMILESCC(C)n1cc(-c2cc(Cl)nc(Cl)c2)cn1
InChIInChI=1S/C11H11Cl2N3/c1-7(2)16-6-9(5-14-16)8-3-10(12)15-11(13)4-8/h3-7H,1-2H3
InChIKeyCBFCHYFBCMJODW-UHFFFAOYSA-N
XLogP3.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine?
The IUPAC name of 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine (CID 86659391) is 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine is CC(C)n1cc(-c2cc(Cl)nc(Cl)c2)cn1.
What is the InChIKey of 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine?
The InChIKey is CBFCHYFBCMJODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-7(2)16-6-9(5-14-16)8-3-10(12)15-11(13)4-8/h3-7H,1-2H3.
What are the key properties of 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine?
2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine has a molecular weight of 256.14 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine is sourced from PubChem (CID 86659391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).