2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine

C12H8ClF2NO — CID 78987592

IUPAC2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
SMILESFc1cccc(F)c1OCc1ccnc(Cl)c1
InChIInChI=1S/C12H8ClF2NO/c13-11-6-8(4-5-16-11)7-17-12-9(14)2-1-3-10(12)15/h1-6H,7H2
InChIKeyOZPUJTKXKVOHSH-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine

2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine (PubChem CID 78987592) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
PubChem CID78987592
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
SMILESFc1cccc(F)c1OCc1ccnc(Cl)c1
InChIInChI=1S/C12H8ClF2NO/c13-11-6-8(4-5-16-11)7-17-12-9(14)2-1-3-10(12)15/h1-6H,7H2
InChIKeyOZPUJTKXKVOHSH-UHFFFAOYSA-N
XLogP3.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.59
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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Related Compounds

[4-[(2,6-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 81270028
2-chloro-4-[(4-fluorophenoxy)methyl]pyridine
CID 62299799
2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
CID 62045301
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
CID 81267909
4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
CID 141490423
4-[(4-bromo-2-fluorophenoxy)methyl]-2-chloropyridine
CID 55069584
2-chloro-4-[(4-chloronaphthalen-1-yl)oxymethyl]pyridine
CID 63480612
[3-[(2-chloro-4-pyridinyl)methoxy]phenyl]methanol
CID 62472318
2-[(2-chloro-4-pyridinyl)methoxy]aniline
CID 62469846
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
CID 81495867
2-chloro-4-(fluoromethyl)pyridine
CID 105428891
2-chloro-3-[(2,6-difluorophenoxy)methyl]pyridine
CID 78918861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine (CID 78987592) is 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine is Fc1cccc(F)c1OCc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine?
The InChIKey is OZPUJTKXKVOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-11-6-8(4-5-16-11)7-17-12-9(14)2-1-3-10(12)15/h1-6H,7H2.
What are the key properties of 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine?
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine has a molecular weight of 255.65 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine is sourced from PubChem (CID 78987592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).