2-(difluoromethyl)-3,6-difluoro-5-methylpyridine

C7H5F4N — CID 130099696

IUPAC2-(difluoromethyl)-3,6-difluoro-5-methylpyridine
SMILESCc1cc(F)c(C(F)F)nc1F
InChIInChI=1S/C7H5F4N/c1-3-2-4(8)5(6(9)10)12-7(3)11/h2,6H,1H3
InChIKeyOUOPIXDZNNHNSF-UHFFFAOYSA-N
MW179.12 g/mol
LogP2.61
Rot. Bonds1

About 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine

2-(difluoromethyl)-3,6-difluoro-5-methylpyridine (PubChem CID 130099696) has the molecular formula C7H5F4N and a molecular weight of 179.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3,6-difluoro-5-methylpyridine
PubChem CID130099696
Molecular FormulaC7H5F4N
Molecular Weight179.12 g/mol
Exact Mass179.04
IUPAC Name2-(difluoromethyl)-3,6-difluoro-5-methylpyridine
SMILESCc1cc(F)c(C(F)F)nc1F
InChIInChI=1S/C7H5F4N/c1-3-2-4(8)5(6(9)10)12-7(3)11/h2,6H,1H3
InChIKeyOUOPIXDZNNHNSF-UHFFFAOYSA-N
XLogP2.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-2,5-difluoropyridin-3-amine
CID 130099529
2-(difluoromethyl)-5-fluoro-6-iodo-3-methylpyridine
CID 130079892
5-chloro-2-(difluoromethyl)-3-fluoro-6-methylpyridine
CID 130071645
3,6-difluoro-5-methylpyridin-2-amine
CID 135201533
[6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol
CID 130081099
6-(difluoromethyl)-3-fluoro-5-methylpyridine-2-carbaldehyde
CID 130081136
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetonitrile
CID 130099811
5-(difluoromethyl)-2-fluoro-6-iodo-3-methylpyridine
CID 130079920
2-(difluoromethyl)-4,6-difluoro-3-methylpyridine
CID 118851823
6-(difluoromethyl)-5-fluoropyridine-2,3-diamine
CID 130098596
2-(difluoromethyl)-3-fluoro-5,6-diiodopyridine
CID 130100474

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine?
The IUPAC name of 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine (CID 130099696) is 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine.
What is the SMILES notation for 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine?
The canonical SMILES for 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine is Cc1cc(F)c(C(F)F)nc1F.
What is the InChIKey of 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine?
The InChIKey is OUOPIXDZNNHNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N/c1-3-2-4(8)5(6(9)10)12-7(3)11/h2,6H,1H3.
What are the key properties of 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine?
2-(difluoromethyl)-3,6-difluoro-5-methylpyridine has a molecular weight of 179.12 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3,6-difluoro-5-methylpyridine is sourced from PubChem (CID 130099696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).