2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane

C19H28F2N2 — CID 177234954

IUPAC2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane
SMILESCC.Cc1ccncc1C.Cc1cnc(C(F)F)cc1C(C)C
InChIInChI=1S/C10H13F2N.C7H9N.C2H6/c1-6(2)8-4-9(10(11)12)13-5-7(8)3;1-6-3-4-8-5-7(6)2;1-2/h4-6,10H,1-3H3;3-5H,1-2H3;1-2H3
InChIKeyQZLHYOYDGUTLTC-UHFFFAOYSA-N
MW322.44 g/mol
LogP6.18
Rot. Bonds2

About 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane

2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane (PubChem CID 177234954) has the molecular formula C19H28F2N2 and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane
PubChem CID177234954
Molecular FormulaC19H28F2N2
Molecular Weight322.44 g/mol
Exact Mass322.22
IUPAC Name2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane
SMILESCC.Cc1ccncc1C.Cc1cnc(C(F)F)cc1C(C)C
InChIInChI=1S/C10H13F2N.C7H9N.C2H6/c1-6(2)8-4-9(10(11)12)13-5-7(8)3;1-6-3-4-8-5-7(6)2;1-2/h4-6,10H,1-3H3;3-5H,1-2H3;1-2H3
InChIKeyQZLHYOYDGUTLTC-UHFFFAOYSA-N
XLogP6.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine
CID 159258113
4-methyl-3-[4-methyl-3,5-di(propan-2-yl)phenyl]pyridine
CID 129189337
3,4-dimethylpyridine;1,2-xylene
CID 158871716
ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
CID 167681934
3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);ethane
CID 158803721
ethane;2,4,5-tri(propan-2-yl)pyridine
CID 167652229
2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine
CID 165043952
(4-methyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methanamine
CID 66271642
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine
CID 170194877
4-butan-2-yl-3-methylpyridine
CID 66641815

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane?
The IUPAC name of 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane (CID 177234954) is 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane is CC.Cc1ccncc1C.Cc1cnc(C(F)F)cc1C(C)C.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane?
The InChIKey is QZLHYOYDGUTLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N.C7H9N.C2H6/c1-6(2)8-4-9(10(11)12)13-5-7(8)3;1-6-3-4-8-5-7(6)2;1-2/h4-6,10H,1-3H3;3-5H,1-2H3;1-2H3.
What are the key properties of 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane?
2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane has a molecular weight of 322.44 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-4-propan-2-ylpyridine;3,4-dimethylpyridine;ethane is sourced from PubChem (CID 177234954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).