2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine

C12H11Cl2N3 — CID 163201424

IUPAC2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
SMILESClc1cc(-c2cnn(CC3CC3)c2)cc(Cl)n1
InChIInChI=1S/C12H11Cl2N3/c13-11-3-9(4-12(14)16-11)10-5-15-17(7-10)6-8-1-2-8/h3-5,7-8H,1-2,6H2
InChIKeyGFWOAYIDSPUKBX-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.66
Rot. Bonds3

About 2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine

2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine (PubChem CID 163201424) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
PubChem CID163201424
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
SMILESClc1cc(-c2cnn(CC3CC3)c2)cc(Cl)n1
InChIInChI=1S/C12H11Cl2N3/c13-11-3-9(4-12(14)16-11)10-5-15-17(7-10)6-8-1-2-8/h3-5,7-8H,1-2,6H2
InChIKeyGFWOAYIDSPUKBX-UHFFFAOYSA-N
XLogP3.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.66
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-(cyclopropylmethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine (CID 163201424) is 2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine is Clc1cc(-c2cnn(CC3CC3)c2)cc(Cl)n1.
What is the InChIKey of 2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine?
The InChIKey is GFWOAYIDSPUKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-11-3-9(4-12(14)16-11)10-5-15-17(7-10)6-8-1-2-8/h3-5,7-8H,1-2,6H2.
What are the key properties of 2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine?
2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine has a molecular weight of 268.15 g/mol, XLogP of 3.66, 3 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-(cyclopropylmethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 163201424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).