2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine

C18H11Cl3FNO — CID 175512944

IUPAC2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine
SMILESCOc1cc(F)cc(-c2cccc(-c3ccnc(Cl)c3Cl)c2Cl)c1
InChIInChI=1S/C18H11Cl3FNO/c1-24-12-8-10(7-11(22)9-12)13-3-2-4-14(16(13)19)15-5-6-23-18(21)17(15)20/h2-9H,1H3
InChIKeyOTHJMXVVPGRMFY-UHFFFAOYSA-N
MW382.65 g/mol
LogP6.52
Rot. Bonds3

About 2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine

2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine (PubChem CID 175512944) has the molecular formula C18H11Cl3FNO and a molecular weight of 382.65 g/mol. Its IUPAC name is 2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine
PubChem CID175512944
Molecular FormulaC18H11Cl3FNO
Molecular Weight382.65 g/mol
Exact Mass380.99
IUPAC Name2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine
SMILESCOc1cc(F)cc(-c2cccc(-c3ccnc(Cl)c3Cl)c2Cl)c1
InChIInChI=1S/C18H11Cl3FNO/c1-24-12-8-10(7-11(22)9-12)13-3-2-4-14(16(13)19)15-5-6-23-18(21)17(15)20/h2-9H,1H3
InChIKeyOTHJMXVVPGRMFY-UHFFFAOYSA-N
XLogP6.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.65
LogP ≤ 56.52
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-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine?
The IUPAC name of 2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine (CID 175512944) is 2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine.
What is the SMILES notation for 2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine?
The canonical SMILES for 2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine is COc1cc(F)cc(-c2cccc(-c3ccnc(Cl)c3Cl)c2Cl)c1.
What is the InChIKey of 2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine?
The InChIKey is OTHJMXVVPGRMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl3FNO/c1-24-12-8-10(7-11(22)9-12)13-3-2-4-14(16(13)19)15-5-6-23-18(21)17(15)20/h2-9H,1H3.
What are the key properties of 2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine?
2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine has a molecular weight of 382.65 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[2-chloro-3-(3-fluoro-5-methoxyphenyl)phenyl]pyridine is sourced from PubChem (CID 175512944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).