2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine

C17H10Cl3FN2 — CID 59007793

IUPAC2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine
SMILESCc1cccc(-c2cc(Cl)c(-c3c(F)cccc3Cl)c(Cl)n2)n1
InChIInChI=1S/C17H10Cl3FN2/c1-9-4-2-7-13(22-9)14-8-11(19)16(17(20)23-14)15-10(18)5-3-6-12(15)21/h2-8H,1H3
InChIKeyKSDVOZYCHWRAHO-UHFFFAOYSA-N
MW367.64 g/mol
LogP6.22
Rot. Bonds2

About 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine

2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine (PubChem CID 59007793) has the molecular formula C17H10Cl3FN2 and a molecular weight of 367.64 g/mol. Its IUPAC name is 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine
PubChem CID59007793
Molecular FormulaC17H10Cl3FN2
Molecular Weight367.64 g/mol
Exact Mass365.99
IUPAC Name2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine
SMILESCc1cccc(-c2cc(Cl)c(-c3c(F)cccc3Cl)c(Cl)n2)n1
InChIInChI=1S/C17H10Cl3FN2/c1-9-4-2-7-13(22-9)14-8-11(19)16(17(20)23-14)15-10(18)5-3-6-12(15)21/h2-8H,1H3
InChIKeyKSDVOZYCHWRAHO-UHFFFAOYSA-N
XLogP6.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.64
LogP ≤ 56.22
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 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine?
The IUPAC name of 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine (CID 59007793) is 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine?
The canonical SMILES for 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine is Cc1cccc(-c2cc(Cl)c(-c3c(F)cccc3Cl)c(Cl)n2)n1.
What is the InChIKey of 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine?
The InChIKey is KSDVOZYCHWRAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3FN2/c1-9-4-2-7-13(22-9)14-8-11(19)16(17(20)23-14)15-10(18)5-3-6-12(15)21/h2-8H,1H3.
What are the key properties of 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine?
2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine has a molecular weight of 367.64 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(2-chloro-6-fluorophenyl)-6-(6-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 59007793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).