2-(difluoromethyl)-4,6-difluoro-3-methylpyridine

C7H5F4N — CID 118851823

IUPAC2-(difluoromethyl)-4,6-difluoro-3-methylpyridine
SMILESCc1c(F)cc(F)nc1C(F)F
InChIInChI=1S/C7H5F4N/c1-3-4(8)2-5(9)12-6(3)7(10)11/h2,7H,1H3
InChIKeyWZJBTPBEIJOYPV-UHFFFAOYSA-N
MW179.12 g/mol
LogP2.61
Rot. Bonds1

About 2-(difluoromethyl)-4,6-difluoro-3-methylpyridine

2-(difluoromethyl)-4,6-difluoro-3-methylpyridine (PubChem CID 118851823) has the molecular formula C7H5F4N and a molecular weight of 179.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-4,6-difluoro-3-methylpyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4,6-difluoro-3-methylpyridine
PubChem CID118851823
Molecular FormulaC7H5F4N
Molecular Weight179.12 g/mol
Exact Mass179.04
IUPAC Name2-(difluoromethyl)-4,6-difluoro-3-methylpyridine
SMILESCc1c(F)cc(F)nc1C(F)F
InChIInChI=1S/C7H5F4N/c1-3-4(8)2-5(9)12-6(3)7(10)11/h2,7H,1H3
InChIKeyWZJBTPBEIJOYPV-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

4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
2-(difluoromethyl)-4,6-difluoro-3-iodopyridine
CID 118846195
2-(difluoromethyl)-6-fluoro-3-methyl-4-nitropyridine
CID 118803582
3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine
CID 130099754
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
3,4-dichloro-2-(difluoromethyl)-6-fluoropyridine
CID 130099210
2-(difluoromethyl)-3,6-difluoro-5-methylpyridine
CID 130099696
2-(difluoromethyl)-6-fluoro-3,4-diiodopyridine
CID 118842841
2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
CID 118826386
3-(difluoromethyl)-2,4,6-trifluoropyridine
CID 130088806
2-(difluoromethyl)-6-fluoro-4-iodopyridin-3-ol
CID 118854339

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4,6-difluoro-3-methylpyridine?
The IUPAC name of 2-(difluoromethyl)-4,6-difluoro-3-methylpyridine (CID 118851823) is 2-(difluoromethyl)-4,6-difluoro-3-methylpyridine.
What is the SMILES notation for 2-(difluoromethyl)-4,6-difluoro-3-methylpyridine?
The canonical SMILES for 2-(difluoromethyl)-4,6-difluoro-3-methylpyridine is Cc1c(F)cc(F)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4,6-difluoro-3-methylpyridine?
The InChIKey is WZJBTPBEIJOYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N/c1-3-4(8)2-5(9)12-6(3)7(10)11/h2,7H,1H3.
What are the key properties of 2-(difluoromethyl)-4,6-difluoro-3-methylpyridine?
2-(difluoromethyl)-4,6-difluoro-3-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)-4,6-difluoro-3-methylpyridine is sourced from PubChem (CID 118851823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).