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

C12H9ClFNO — CID 134857345

IUPAC2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(Cl)ncc2F)cc1
InChIInChI=1S/C12H9ClFNO/c1-16-9-4-2-8(3-5-9)10-6-12(13)15-7-11(10)14/h2-7H,1H3
InChIKeyTVOOQZILHKRCOY-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.55
Rot. Bonds2

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

2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine (PubChem CID 134857345) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine
PubChem CID134857345
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(Cl)ncc2F)cc1
InChIInChI=1S/C12H9ClFNO/c1-16-9-4-2-8(3-5-9)10-6-12(13)15-7-11(10)14/h2-7H,1H3
InChIKeyTVOOQZILHKRCOY-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.55
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-methoxyphenyl)pyridine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine (CID 134857345) is 2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine is COc1ccc(-c2cc(Cl)ncc2F)cc1.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine?
The InChIKey is TVOOQZILHKRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c1-16-9-4-2-8(3-5-9)10-6-12(13)15-7-11(10)14/h2-7H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine?
2-chloro-5-fluoro-4-(4-methoxyphenyl)pyridine has a molecular weight of 237.66 g/mol, XLogP of 3.55, 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-methoxyphenyl)pyridine is sourced from PubChem (CID 134857345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).