2,4-dichloro-3-isocyano-6-methylpyridine

C7H4Cl2N2 — CID 171417542

IUPAC2,4-dichloro-3-isocyano-6-methylpyridine
SMILES[C-]#[N+]c1c(Cl)cc(C)nc1Cl
InChIInChI=1S/C7H4Cl2N2/c1-4-3-5(8)6(10-2)7(9)11-4/h3H,1H3
InChIKeyWFFPWEAIHOVXKK-UHFFFAOYSA-N
MW187.03 g/mol
LogP3.25
Rot. Bonds

About 2,4-dichloro-3-isocyano-6-methylpyridine

2,4-dichloro-3-isocyano-6-methylpyridine (PubChem CID 171417542) has the molecular formula C7H4Cl2N2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 2,4-dichloro-3-isocyano-6-methylpyridine.

Molecular Properties

Compound Name2,4-dichloro-3-isocyano-6-methylpyridine
PubChem CID171417542
Molecular FormulaC7H4Cl2N2
Molecular Weight187.03 g/mol
Exact Mass185.98
IUPAC Name2,4-dichloro-3-isocyano-6-methylpyridine
SMILES[C-]#[N+]c1c(Cl)cc(C)nc1Cl
InChIInChI=1S/C7H4Cl2N2/c1-4-3-5(8)6(10-2)7(9)11-4/h3H,1H3
InChIKeyWFFPWEAIHOVXKK-UHFFFAOYSA-N
XLogP3.25
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-isocyano-6-methylpyridine?
The IUPAC name of 2,4-dichloro-3-isocyano-6-methylpyridine (CID 171417542) is 2,4-dichloro-3-isocyano-6-methylpyridine.
What is the SMILES notation for 2,4-dichloro-3-isocyano-6-methylpyridine?
The canonical SMILES for 2,4-dichloro-3-isocyano-6-methylpyridine is [C-]#[N+]c1c(Cl)cc(C)nc1Cl.
What is the InChIKey of 2,4-dichloro-3-isocyano-6-methylpyridine?
The InChIKey is WFFPWEAIHOVXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2/c1-4-3-5(8)6(10-2)7(9)11-4/h3H,1H3.
What are the key properties of 2,4-dichloro-3-isocyano-6-methylpyridine?
2,4-dichloro-3-isocyano-6-methylpyridine has a molecular weight of 187.03 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-isocyano-6-methylpyridine is sourced from PubChem (CID 171417542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).