3-(difluoromethyl)-5-hexan-2-ylpyridine

C12H17F2N — CID 156508681

IUPAC3-(difluoromethyl)-5-hexan-2-ylpyridine
SMILESCCCCC(C)c1cncc(C(F)F)c1
InChIInChI=1S/C12H17F2N/c1-3-4-5-9(2)10-6-11(12(13)14)8-15-7-10/h6-9,12H,3-5H2,1-2H3
InChIKeyJHRUJWGTZQYKPX-UHFFFAOYSA-N
MW213.27 g/mol
LogP4.31
Rot. Bonds5

About 3-(difluoromethyl)-5-hexan-2-ylpyridine

3-(difluoromethyl)-5-hexan-2-ylpyridine (PubChem CID 156508681) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-hexan-2-ylpyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-hexan-2-ylpyridine
PubChem CID156508681
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name3-(difluoromethyl)-5-hexan-2-ylpyridine
SMILESCCCCC(C)c1cncc(C(F)F)c1
InChIInChI=1S/C12H17F2N/c1-3-4-5-9(2)10-6-11(12(13)14)8-15-7-10/h6-9,12H,3-5H2,1-2H3
InChIKeyJHRUJWGTZQYKPX-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-hexan-2-yl-5-(trifluoromethyl)pyridine
CID 134266462
3-(difluoromethoxy)-5-pentan-2-ylpyridine
CID 166854522
4-(5-fluoro-3-pyridinyl)pentan-1-ol
CID 177007789
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
N-ethyl-3-(5-fluoro-3-pyridinyl)butan-1-amine
CID 81018534
2-chloro-6-hexan-2-ylpyrazine
CID 174338871
2-ethyl-1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105022799
3-heptan-3-yl-5-(trifluoromethyl)pyridine
CID 137443889
3-(difluoromethyl)-5-iodopyridine
CID 99979257
1-[(2S)-hexan-2-yl]-3-methylbenzene
CID 177146416
(4-hexan-2-ylphenyl)boronic acid
CID 178076965
4-hexan-2-ylbenzene-1,2-diol
CID 14595150

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-hexan-2-ylpyridine?
The IUPAC name of 3-(difluoromethyl)-5-hexan-2-ylpyridine (CID 156508681) is 3-(difluoromethyl)-5-hexan-2-ylpyridine.
What is the SMILES notation for 3-(difluoromethyl)-5-hexan-2-ylpyridine?
The canonical SMILES for 3-(difluoromethyl)-5-hexan-2-ylpyridine is CCCCC(C)c1cncc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-5-hexan-2-ylpyridine?
The InChIKey is JHRUJWGTZQYKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-4-5-9(2)10-6-11(12(13)14)8-15-7-10/h6-9,12H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-5-hexan-2-ylpyridine?
3-(difluoromethyl)-5-hexan-2-ylpyridine has a molecular weight of 213.27 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-hexan-2-ylpyridine is sourced from PubChem (CID 156508681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).