1,6-dichloro-2H-pyridine

C5H5Cl2N — CID 19802091

IUPAC1,6-dichloro-2H-pyridine
SMILESClC1=CC=CCN1Cl
InChIInChI=1S/C5H5Cl2N/c6-5-3-1-2-4-8(5)7/h1-3H,4H2
InChIKeyCDAMWDSFFQBOAU-UHFFFAOYSA-N
MW150.01 g/mol
LogP2.09
Rot. Bonds

About 1,6-dichloro-2H-pyridine

1,6-dichloro-2H-pyridine (PubChem CID 19802091) has the molecular formula C5H5Cl2N and a molecular weight of 150.01 g/mol. Its IUPAC name is 1,6-dichloro-2H-pyridine.

Molecular Properties

Compound Name1,6-dichloro-2H-pyridine
PubChem CID19802091
Molecular FormulaC5H5Cl2N
Molecular Weight150.01 g/mol
Exact Mass148.98
IUPAC Name1,6-dichloro-2H-pyridine
SMILESClC1=CC=CCN1Cl
InChIInChI=1S/C5H5Cl2N/c6-5-3-1-2-4-8(5)7/h1-3H,4H2
InChIKeyCDAMWDSFFQBOAU-UHFFFAOYSA-N
XLogP2.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.01
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-2H-pyridine?
The IUPAC name of 1,6-dichloro-2H-pyridine (CID 19802091) is 1,6-dichloro-2H-pyridine.
What is the SMILES notation for 1,6-dichloro-2H-pyridine?
The canonical SMILES for 1,6-dichloro-2H-pyridine is ClC1=CC=CCN1Cl.
What is the InChIKey of 1,6-dichloro-2H-pyridine?
The InChIKey is CDAMWDSFFQBOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N/c6-5-3-1-2-4-8(5)7/h1-3H,4H2.
What are the key properties of 1,6-dichloro-2H-pyridine?
1,6-dichloro-2H-pyridine has a molecular weight of 150.01 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-2H-pyridine is sourced from PubChem (CID 19802091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).