2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile

C13H8ClFN2O2 — CID 166799798

IUPAC2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile
SMILESCOc1cc(Oc2cc(C#N)cc(Cl)n2)ccc1F
InChIInChI=1S/C13H8ClFN2O2/c1-18-11-6-9(2-3-10(11)15)19-13-5-8(7-16)4-12(14)17-13/h2-6H,1H3
InChIKeyTVABXBCPXQKZOV-UHFFFAOYSA-N
MW278.67 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile

2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile (PubChem CID 166799798) has the molecular formula C13H8ClFN2O2 and a molecular weight of 278.67 g/mol. Its IUPAC name is 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile
PubChem CID166799798
Molecular FormulaC13H8ClFN2O2
Molecular Weight278.67 g/mol
Exact Mass278.03
IUPAC Name2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile
SMILESCOc1cc(Oc2cc(C#N)cc(Cl)n2)ccc1F
InChIInChI=1S/C13H8ClFN2O2/c1-18-11-6-9(2-3-10(11)15)19-13-5-8(7-16)4-12(14)17-13/h2-6H,1H3
InChIKeyTVABXBCPXQKZOV-UHFFFAOYSA-N
XLogP3.55
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile (CID 166799798) is 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile is COc1cc(Oc2cc(C#N)cc(Cl)n2)ccc1F.
What is the InChIKey of 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile?
The InChIKey is TVABXBCPXQKZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2/c1-18-11-6-9(2-3-10(11)15)19-13-5-8(7-16)4-12(14)17-13/h2-6H,1H3.
What are the key properties of 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile?
2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile has a molecular weight of 278.67 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 166799798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).