3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine

C12H10F2N2 — CID 151706255

IUPAC3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine
SMILESCc1cc(-c2cncc(C(F)F)c2)ccn1
InChIInChI=1S/C12H10F2N2/c1-8-4-9(2-3-16-8)10-5-11(12(13)14)7-15-6-10/h2-7,12H,1H3
InChIKeyRFQKYOXVKKWKSZ-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.39
Rot. Bonds2

About 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine

3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine (PubChem CID 151706255) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine
PubChem CID151706255
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine
SMILESCc1cc(-c2cncc(C(F)F)c2)ccn1
InChIInChI=1S/C12H10F2N2/c1-8-4-9(2-3-16-8)10-5-11(12(13)14)7-15-6-10/h2-7,12H,1H3
InChIKeyRFQKYOXVKKWKSZ-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine (CID 151706255) is 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine is Cc1cc(-c2cncc(C(F)F)c2)ccn1.
What is the InChIKey of 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine?
The InChIKey is RFQKYOXVKKWKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c1-8-4-9(2-3-16-8)10-5-11(12(13)14)7-15-6-10/h2-7,12H,1H3.
What are the key properties of 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine?
3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine has a molecular weight of 220.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(2-methyl-4-pyridinyl)pyridine is sourced from PubChem (CID 151706255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).