2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine

C12H8ClF2NO — CID 90103226

IUPAC2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine
SMILESCOc1cc(F)ccc1-c1cc(Cl)ncc1F
InChIInChI=1S/C12H8ClF2NO/c1-17-11-4-7(14)2-3-8(11)9-5-12(13)16-6-10(9)15/h2-6H,1H3
InChIKeyDNIJDJCVXQYRLG-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.69
Rot. Bonds2

About 2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine

2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine (PubChem CID 90103226) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine
PubChem CID90103226
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine
SMILESCOc1cc(F)ccc1-c1cc(Cl)ncc1F
InChIInChI=1S/C12H8ClF2NO/c1-17-11-4-7(14)2-3-8(11)9-5-12(13)16-6-10(9)15/h2-6H,1H3
InChIKeyDNIJDJCVXQYRLG-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.69
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-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine (CID 90103226) is 2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine is COc1cc(F)ccc1-c1cc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine?
The InChIKey is DNIJDJCVXQYRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c1-17-11-4-7(14)2-3-8(11)9-5-12(13)16-6-10(9)15/h2-6H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine?
2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine has a molecular weight of 255.65 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridine is sourced from PubChem (CID 90103226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).