2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine

C19H12Cl2N2 — CID 21354115

IUPAC2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine
SMILES[C-]#[N+]C(c1cccc(-c2ccccc2)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H12Cl2N2/c1-22-19(18-14(20)9-5-10-15(18)21)17-12-6-11-16(23-17)13-7-3-2-4-8-13/h2-12,19H
InChIKeyVRWVBAQAKJHSJZ-UHFFFAOYSA-N
MW339.23 g/mol
LogP6.06
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine

2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine (PubChem CID 21354115) has the molecular formula C19H12Cl2N2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine
PubChem CID21354115
Molecular FormulaC19H12Cl2N2
Molecular Weight339.23 g/mol
Exact Mass338.04
IUPAC Name2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine
SMILES[C-]#[N+]C(c1cccc(-c2ccccc2)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H12Cl2N2/c1-22-19(18-14(20)9-5-10-15(18)21)17-12-6-11-16(23-17)13-7-3-2-4-8-13/h2-12,19H
InChIKeyVRWVBAQAKJHSJZ-UHFFFAOYSA-N
XLogP6.06
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine?
The IUPAC name of 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine (CID 21354115) is 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine is [C-]#[N+]C(c1cccc(-c2ccccc2)n1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine?
The InChIKey is VRWVBAQAKJHSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2/c1-22-19(18-14(20)9-5-10-15(18)21)17-12-6-11-16(23-17)13-7-3-2-4-8-13/h2-12,19H.
What are the key properties of 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine?
2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine has a molecular weight of 339.23 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-phenylpyridine is sourced from PubChem (CID 21354115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).