2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile

C14H10ClFN2O2 — CID 89388881

IUPAC2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile
SMILESCOc1ccc(COc2nc(Cl)c(C#N)cc2F)cc1
InChIInChI=1S/C14H10ClFN2O2/c1-19-11-4-2-9(3-5-11)8-20-14-12(16)6-10(7-17)13(15)18-14/h2-6H,8H2,1H3
InChIKeySHWYVHBDJKHOHW-UHFFFAOYSA-N
MW292.70 g/mol
LogP3.33
Rot. Bonds4

About 2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile

2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile (PubChem CID 89388881) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile
PubChem CID89388881
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile
SMILESCOc1ccc(COc2nc(Cl)c(C#N)cc2F)cc1
InChIInChI=1S/C14H10ClFN2O2/c1-19-11-4-2-9(3-5-11)8-20-14-12(16)6-10(7-17)13(15)18-14/h2-6H,8H2,1H3
InChIKeySHWYVHBDJKHOHW-UHFFFAOYSA-N
XLogP3.33
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 53.33
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-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile (CID 89388881) is 2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile is COc1ccc(COc2nc(Cl)c(C#N)cc2F)cc1.
What is the InChIKey of 2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile?
The InChIKey is SHWYVHBDJKHOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c1-19-11-4-2-9(3-5-11)8-20-14-12(16)6-10(7-17)13(15)18-14/h2-6H,8H2,1H3.
What are the key properties of 2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile?
2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile has a molecular weight of 292.70 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 89388881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).