2-(difluoromethyl)-3-(3-methylphenyl)pyridine

C13H11F2N — CID 178100787

IUPAC2-(difluoromethyl)-3-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cccnc2C(F)F)c1
InChIInChI=1S/C13H11F2N/c1-9-4-2-5-10(8-9)11-6-3-7-16-12(11)13(14)15/h2-8,13H,1H3
InChIKeyBFZPQCZZKQAVAE-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.99
Rot. Bonds2

About 2-(difluoromethyl)-3-(3-methylphenyl)pyridine

2-(difluoromethyl)-3-(3-methylphenyl)pyridine (PubChem CID 178100787) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-(3-methylphenyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-(3-methylphenyl)pyridine
PubChem CID178100787
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name2-(difluoromethyl)-3-(3-methylphenyl)pyridine
SMILESCc1cccc(-c2cccnc2C(F)F)c1
InChIInChI=1S/C13H11F2N/c1-9-4-2-5-10(8-9)11-6-3-7-16-12(11)13(14)15/h2-8,13H,1H3
InChIKeyBFZPQCZZKQAVAE-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)-2-(3-methylphenyl)benzene
CID 123429256
3-(3-fluorophenyl)-2-propan-2-ylpyridine
CID 90162322
[3-(3-methylphenyl)-2-pyridinyl]methanamine
CID 82106036
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
5-[4-(3-methylphenyl)phenyl]quinoline
CID 121316110
6-[2-(3-methylphenyl)-3-pyridinyl]quinoxaline
CID 90095667
5-methylidene-8-(3-methylphenyl)-6H-pyrido[2,3-d]pyridazine
CID 142927326
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine
CID 90162283
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
3-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridin-2-amine
CID 57112868

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-(3-methylphenyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-3-(3-methylphenyl)pyridine (CID 178100787) is 2-(difluoromethyl)-3-(3-methylphenyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-(3-methylphenyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-3-(3-methylphenyl)pyridine is Cc1cccc(-c2cccnc2C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-3-(3-methylphenyl)pyridine?
The InChIKey is BFZPQCZZKQAVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c1-9-4-2-5-10(8-9)11-6-3-7-16-12(11)13(14)15/h2-8,13H,1H3.
What are the key properties of 2-(difluoromethyl)-3-(3-methylphenyl)pyridine?
2-(difluoromethyl)-3-(3-methylphenyl)pyridine has a molecular weight of 219.23 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-(3-methylphenyl)pyridine is sourced from PubChem (CID 178100787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).