4-[(2,3-difluorophenoxy)methyl]pyridine

C12H9F2NO — CID 141089252

IUPAC4-[(2,3-difluorophenoxy)methyl]pyridine
SMILESFc1cccc(OCc2ccncc2)c1F
InChIInChI=1S/C12H9F2NO/c13-10-2-1-3-11(12(10)14)16-8-9-4-6-15-7-5-9/h1-7H,8H2
InChIKeySFRUCGRRXJNZQH-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.94
Rot. Bonds3

About 4-[(2,3-difluorophenoxy)methyl]pyridine

4-[(2,3-difluorophenoxy)methyl]pyridine (PubChem CID 141089252) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-[(2,3-difluorophenoxy)methyl]pyridine.

Molecular Properties

Compound Name4-[(2,3-difluorophenoxy)methyl]pyridine
PubChem CID141089252
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name4-[(2,3-difluorophenoxy)methyl]pyridine
SMILESFc1cccc(OCc2ccncc2)c1F
InChIInChI=1S/C12H9F2NO/c13-10-2-1-3-11(12(10)14)16-8-9-4-6-15-7-5-9/h1-7H,8H2
InChIKeySFRUCGRRXJNZQH-UHFFFAOYSA-N
XLogP2.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
CID 107661921
4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 63036941
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
CID 55145542
trifluoro-[2-(pyridin-4-ylmethoxy)phenyl]boranuide
CID 63677237
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
2-(pyridin-4-ylmethoxy)aniline
CID 16788077
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]pyridine
CID 112613976
[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methanamine
CID 112608067
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
CID 175374084
CID 175374084

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenoxy)methyl]pyridine?
The IUPAC name of 4-[(2,3-difluorophenoxy)methyl]pyridine (CID 141089252) is 4-[(2,3-difluorophenoxy)methyl]pyridine.
What is the SMILES notation for 4-[(2,3-difluorophenoxy)methyl]pyridine?
The canonical SMILES for 4-[(2,3-difluorophenoxy)methyl]pyridine is Fc1cccc(OCc2ccncc2)c1F.
What is the InChIKey of 4-[(2,3-difluorophenoxy)methyl]pyridine?
The InChIKey is SFRUCGRRXJNZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c13-10-2-1-3-11(12(10)14)16-8-9-4-6-15-7-5-9/h1-7H,8H2.
What are the key properties of 4-[(2,3-difluorophenoxy)methyl]pyridine?
4-[(2,3-difluorophenoxy)methyl]pyridine has a molecular weight of 221.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenoxy)methyl]pyridine is sourced from PubChem (CID 141089252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).