3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine

C13H11F2NO — CID 168947989

IUPAC3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine
SMILESCOc1ncccc1Cc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO/c1-17-13-9(3-2-6-16-13)7-10-8-11(14)4-5-12(10)15/h2-6,8H,7H2,1H3
InChIKeyVNWHLSUBCRONJH-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.96
Rot. Bonds3

About 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine

3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine (PubChem CID 168947989) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine
PubChem CID168947989
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine
SMILESCOc1ncccc1Cc1cc(F)ccc1F
InChIInChI=1S/C13H11F2NO/c1-17-13-9(3-2-6-16-13)7-10-8-11(14)4-5-12(10)15/h2-6,8H,7H2,1H3
InChIKeyVNWHLSUBCRONJH-UHFFFAOYSA-N
XLogP2.96
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
1-(2,5-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60910476
2-(2,4-difluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105117230
2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine
CID 114057573
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398
4-fluoro-3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 107452324
1-(4-fluoro-3-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 82991384
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970
3-(2-methoxy-3-pyridinyl)propan-1-amine
CID 55266989
5-bromo-3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methoxypyridine
CID 150756751

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine (CID 168947989) is 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine is COc1ncccc1Cc1cc(F)ccc1F.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine?
The InChIKey is VNWHLSUBCRONJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-17-13-9(3-2-6-16-13)7-10-8-11(14)4-5-12(10)15/h2-6,8H,7H2,1H3.
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine?
3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine has a molecular weight of 235.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine is sourced from PubChem (CID 168947989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).