2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine

C19H11Cl2FN2 — CID 21354114

IUPAC2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine
SMILES[C-]#[N+]C(c1cccc(-c2ccc(F)cc2)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H11Cl2FN2/c1-23-19(18-14(20)4-2-5-15(18)21)17-7-3-6-16(24-17)12-8-10-13(22)11-9-12/h2-11,19H
InChIKeyKBXFRSYSHPJTMP-UHFFFAOYSA-N
MW357.22 g/mol
LogP6.20
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine

2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine (PubChem CID 21354114) has the molecular formula C19H11Cl2FN2 and a molecular weight of 357.22 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine
PubChem CID21354114
Molecular FormulaC19H11Cl2FN2
Molecular Weight357.22 g/mol
Exact Mass356.03
IUPAC Name2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine
SMILES[C-]#[N+]C(c1cccc(-c2ccc(F)cc2)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H11Cl2FN2/c1-23-19(18-14(20)4-2-5-15(18)21)17-7-3-6-16(24-17)12-8-10-13(22)11-9-12/h2-11,19H
InChIKeyKBXFRSYSHPJTMP-UHFFFAOYSA-N
XLogP6.20
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.22
LogP ≤ 56.20
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-(4-fluorophenyl)pyridine?
The IUPAC name of 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine (CID 21354114) is 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine is [C-]#[N+]C(c1cccc(-c2ccc(F)cc2)n1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine?
The InChIKey is KBXFRSYSHPJTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN2/c1-23-19(18-14(20)4-2-5-15(18)21)17-7-3-6-16(24-17)12-8-10-13(22)11-9-12/h2-11,19H.
What are the key properties of 2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine?
2-[(2,6-dichlorophenyl)-isocyanomethyl]-6-(4-fluorophenyl)pyridine has a molecular weight of 357.22 g/mol, XLogP of 6.20, 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-(4-fluorophenyl)pyridine is sourced from PubChem (CID 21354114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).