2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine

C19H15F2NO — CID 162398391

IUPAC2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine
SMILESCOc1ccccc1C(F)(F)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H15F2NO/c1-23-18-11-3-2-9-16(18)19(20,21)15-8-6-7-14(13-15)17-10-4-5-12-22-17/h2-13H,1H3
InChIKeyLTVUBYVDQQYJNX-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.90
Rot. Bonds4

About 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine

2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine (PubChem CID 162398391) has the molecular formula C19H15F2NO and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine
PubChem CID162398391
Molecular FormulaC19H15F2NO
Molecular Weight311.33 g/mol
Exact Mass311.11
IUPAC Name2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine
SMILESCOc1ccccc1C(F)(F)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H15F2NO/c1-23-18-11-3-2-9-16(18)19(20,21)15-8-6-7-14(13-15)17-10-4-5-12-22-17/h2-13H,1H3
InChIKeyLTVUBYVDQQYJNX-UHFFFAOYSA-N
XLogP4.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine?
The IUPAC name of 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine (CID 162398391) is 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine is COc1ccccc1C(F)(F)c1cccc(-c2ccccn2)c1.
What is the InChIKey of 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine?
The InChIKey is LTVUBYVDQQYJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO/c1-23-18-11-3-2-9-16(18)19(20,21)15-8-6-7-14(13-15)17-10-4-5-12-22-17/h2-13H,1H3.
What are the key properties of 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine?
2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine has a molecular weight of 311.33 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[difluoro-(2-methoxyphenyl)methyl]phenyl]pyridine is sourced from PubChem (CID 162398391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).