2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine

C9H6F7N — CID 23123821

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine
SMILESCc1ccnc(C(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H6F7N/c1-5-2-3-17-6(4-5)7(10,8(11,12)13)9(14,15)16/h2-4H,1H3
InChIKeyZSZXAUVJKZPLII-UHFFFAOYSA-N
MW261.14 g/mol
LogP3.68
Rot. Bonds1

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine (PubChem CID 23123821) has the molecular formula C9H6F7N and a molecular weight of 261.14 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine
PubChem CID23123821
Molecular FormulaC9H6F7N
Molecular Weight261.14 g/mol
Exact Mass261.04
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine
SMILESCc1ccnc(C(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H6F7N/c1-5-2-3-17-6(4-5)7(10,8(11,12)13)9(14,15)16/h2-4H,1H3
InChIKeyZSZXAUVJKZPLII-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-ol
CID 97290499
2,2-difluoro-2-(4-methyl-2-pyridinyl)ethanamine
CID 130018780
trimethyl-[(2S)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-yl]oxysilane
CID 124637255
2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 153396888
2-ethyl-2-(4-methyl-2-pyridinyl)butanenitrile
CID 123371699
CID 142557420
CID 142557420
4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine
CID 123811453
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
CID 130689989
(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 130771167
3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 55295646

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine (CID 23123821) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine is Cc1ccnc(C(F)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine?
The InChIKey is ZSZXAUVJKZPLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7N/c1-5-2-3-17-6(4-5)7(10,8(11,12)13)9(14,15)16/h2-4H,1H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine has a molecular weight of 261.14 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methylpyridine is sourced from PubChem (CID 23123821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).