5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine

C8H8F3N — CID 130097647

IUPAC5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine
SMILESCc1cc(CF)ncc1C(F)F
InChIInChI=1S/C8H8F3N/c1-5-2-6(3-9)12-4-7(5)8(10)11/h2,4,8H,3H2,1H3
InChIKeyAONHZCZTEHLTMU-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.80
Rot. Bonds2

About 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine

5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine (PubChem CID 130097647) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine
PubChem CID130097647
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine
SMILESCc1cc(CF)ncc1C(F)F
InChIInChI=1S/C8H8F3N/c1-5-2-6(3-9)12-4-7(5)8(10)11/h2,4,8H,3H2,1H3
InChIKeyAONHZCZTEHLTMU-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[5-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130097680
2-(chloromethyl)-4-(difluoromethyl)-5-methylpyridine
CID 130097596
2-bromo-4-(difluoromethyl)-5-methylpyridine
CID 130095038
[5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130097556
[5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 130096445
2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine
CID 130097632
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
4-(difluoromethyl)-5-methylbenzene-1,2-diamine
CID 171010491
4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
CID 118852266
[5-(difluoromethyl)-6-methyl-3-pyridinyl]methanol
CID 130097700
[6-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]methanamine
CID 130074108

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine?
The IUPAC name of 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine (CID 130097647) is 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine.
What is the SMILES notation for 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine?
The canonical SMILES for 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine is Cc1cc(CF)ncc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine?
The InChIKey is AONHZCZTEHLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-5-2-6(3-9)12-4-7(5)8(10)11/h2,4,8H,3H2,1H3.
What are the key properties of 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine?
5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine has a molecular weight of 175.15 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(fluoromethyl)-4-methylpyridine is sourced from PubChem (CID 130097647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).