2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine

C12H8ClF2NO — CID 105403621

IUPAC2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine
SMILESFc1cc(F)cc(COc2cccnc2Cl)c1
InChIInChI=1S/C12H8ClF2NO/c13-12-11(2-1-3-16-12)17-7-8-4-9(14)6-10(15)5-8/h1-6H,7H2
InChIKeyWYEGAFHBICVJQD-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine

2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine (PubChem CID 105403621) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine
PubChem CID105403621
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine
SMILESFc1cc(F)cc(COc2cccnc2Cl)c1
InChIInChI=1S/C12H8ClF2NO/c13-12-11(2-1-3-16-12)17-7-8-4-9(14)6-10(15)5-8/h1-6H,7H2
InChIKeyWYEGAFHBICVJQD-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

2-chloro-3-[(4-iodophenyl)methoxy]pyridine
CID 65476581
3-chloro-4-[(3,5-difluorophenyl)methoxy]aniline
CID 86037311
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
2-chloro-3-(2-fluoroethoxy)pyridine
CID 79035180
1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene
CID 107698765
3-[(3-chloro-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 116688699
3-[(2-chloro-4-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646523
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
3-[(4-bromo-2-chlorophenyl)methoxy]-2-chloropyridine
CID 115634536
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-3,5-difluorobenzene
CID 105404283
3-[(4-chloronaphthalen-1-yl)oxymethyl]-5-fluoroaniline
CID 115980190

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine?
The IUPAC name of 2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine (CID 105403621) is 2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine?
The canonical SMILES for 2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine is Fc1cc(F)cc(COc2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine?
The InChIKey is WYEGAFHBICVJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-12-11(2-1-3-16-12)17-7-8-4-9(14)6-10(15)5-8/h1-6H,7H2.
What are the key properties of 2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine?
2-chloro-3-[(3,5-difluorophenyl)methoxy]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-3-[(3,5-difluorophenyl)methoxy]pyridine is sourced from PubChem (CID 105403621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).