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

C12H9ClFNO — CID 58432609

IUPAC2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine
SMILESCOc1cc(F)ccc1-c1ccnc(Cl)c1
InChIInChI=1S/C12H9ClFNO/c1-16-11-7-9(14)2-3-10(11)8-4-5-15-12(13)6-8/h2-7H,1H3
InChIKeyLROVANCXMGYVLL-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.55
Rot. Bonds2

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

2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine (PubChem CID 58432609) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine
PubChem CID58432609
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine
SMILESCOc1cc(F)ccc1-c1ccnc(Cl)c1
InChIInChI=1S/C12H9ClFNO/c1-16-11-7-9(14)2-3-10(11)8-4-5-15-12(13)6-8/h2-7H,1H3
InChIKeyLROVANCXMGYVLL-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-4-(4-fluoro-2-methoxyphenyl)pyridine?
The IUPAC name of 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine (CID 58432609) is 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine.
What is the SMILES notation for 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine?
The canonical SMILES for 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine is COc1cc(F)ccc1-c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine?
The InChIKey is LROVANCXMGYVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c1-16-11-7-9(14)2-3-10(11)8-4-5-15-12(13)6-8/h2-7H,1H3.
What are the key properties of 2-chloro-4-(4-fluoro-2-methoxyphenyl)pyridine?
2-chloro-4-(4-fluoro-2-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-4-(4-fluoro-2-methoxyphenyl)pyridine is sourced from PubChem (CID 58432609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).