2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine

C14H12ClF2NO3 — CID 122604606

IUPAC2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine
SMILESCOc1cc(OC)c(F)c(COc2ccc(Cl)nc2)c1F
InChIInChI=1S/C14H12ClF2NO3/c1-19-10-5-11(20-2)14(17)9(13(10)16)7-21-8-3-4-12(15)18-6-8/h3-6H,7H2,1-2H3
InChIKeyINZFKMIRDYRESI-UHFFFAOYSA-N
MW315.70 g/mol
LogP3.61
Rot. Bonds5

About 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine

2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine (PubChem CID 122604606) has the molecular formula C14H12ClF2NO3 and a molecular weight of 315.70 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine
PubChem CID122604606
Molecular FormulaC14H12ClF2NO3
Molecular Weight315.70 g/mol
Exact Mass315.05
IUPAC Name2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine
SMILESCOc1cc(OC)c(F)c(COc2ccc(Cl)nc2)c1F
InChIInChI=1S/C14H12ClF2NO3/c1-19-10-5-11(20-2)14(17)9(13(10)16)7-21-8-3-4-12(15)18-6-8/h3-6H,7H2,1-2H3
InChIKeyINZFKMIRDYRESI-UHFFFAOYSA-N
XLogP3.61
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.70
LogP ≤ 53.61
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-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine?
The IUPAC name of 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine (CID 122604606) is 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine.
What is the SMILES notation for 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine?
The canonical SMILES for 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine is COc1cc(OC)c(F)c(COc2ccc(Cl)nc2)c1F.
What is the InChIKey of 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine?
The InChIKey is INZFKMIRDYRESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO3/c1-19-10-5-11(20-2)14(17)9(13(10)16)7-21-8-3-4-12(15)18-6-8/h3-6H,7H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine?
2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine has a molecular weight of 315.70 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyridine is sourced from PubChem (CID 122604606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).