2,3-dichloro-4-methylpyridine;2,3-dichloropyridine

C11H8Cl4N2 — CID 158187016

IUPAC2,3-dichloro-4-methylpyridine;2,3-dichloropyridine
SMILESCc1ccnc(Cl)c1Cl.Clc1cccnc1Cl
InChIInChI=1S/C6H5Cl2N.C5H3Cl2N/c1-4-2-3-9-6(8)5(4)7;6-4-2-1-3-8-5(4)7/h2-3H,1H3;1-3H
InChIKeyFZGNSAKQVBODSI-UHFFFAOYSA-N
MW310.01 g/mol
LogP5.09
Rot. Bonds

About 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine

2,3-dichloro-4-methylpyridine;2,3-dichloropyridine (PubChem CID 158187016) has the molecular formula C11H8Cl4N2 and a molecular weight of 310.01 g/mol. Its IUPAC name is 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine.

Molecular Properties

Compound Name2,3-dichloro-4-methylpyridine;2,3-dichloropyridine
PubChem CID158187016
Molecular FormulaC11H8Cl4N2
Molecular Weight310.01 g/mol
Exact Mass307.94
IUPAC Name2,3-dichloro-4-methylpyridine;2,3-dichloropyridine
SMILESCc1ccnc(Cl)c1Cl.Clc1cccnc1Cl
InChIInChI=1S/C6H5Cl2N.C5H3Cl2N/c1-4-2-3-9-6(8)5(4)7;6-4-2-1-3-8-5(4)7/h2-3H,1H3;1-3H
InChIKeyFZGNSAKQVBODSI-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.01
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine?
The IUPAC name of 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine (CID 158187016) is 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine.
What is the SMILES notation for 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine?
The canonical SMILES for 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine is Cc1ccnc(Cl)c1Cl.Clc1cccnc1Cl.
What is the InChIKey of 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine?
The InChIKey is FZGNSAKQVBODSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N.C5H3Cl2N/c1-4-2-3-9-6(8)5(4)7;6-4-2-1-3-8-5(4)7/h2-3H,1H3;1-3H.
What are the key properties of 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine?
2,3-dichloro-4-methylpyridine;2,3-dichloropyridine has a molecular weight of 310.01 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-methylpyridine;2,3-dichloropyridine is sourced from PubChem (CID 158187016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).