3-heptyl-4-(trifluoromethyl)pyridine

C13H18F3N — CID 130384281

IUPAC3-heptyl-4-(trifluoromethyl)pyridine
SMILESCCCCCCCc1cnccc1C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-2-3-4-5-6-7-11-10-17-9-8-12(11)13(14,15)16/h8-10H,2-7H2,1H3
InChIKeyFRRBVGKXOQFJHN-UHFFFAOYSA-N
MW245.29 g/mol
LogP4.61
Rot. Bonds6

About 3-heptyl-4-(trifluoromethyl)pyridine

3-heptyl-4-(trifluoromethyl)pyridine (PubChem CID 130384281) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-heptyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-heptyl-4-(trifluoromethyl)pyridine
PubChem CID130384281
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name3-heptyl-4-(trifluoromethyl)pyridine
SMILESCCCCCCCc1cnccc1C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-2-3-4-5-6-7-11-10-17-9-8-12(11)13(14,15)16/h8-10H,2-7H2,1H3
InChIKeyFRRBVGKXOQFJHN-UHFFFAOYSA-N
XLogP4.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloropropyl)-4-(trifluoromethyl)pyridine
CID 102708951
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
N-propyl-4-[4-(trifluoromethyl)-3-pyridinyl]butan-2-amine
CID 102708886
4-heptyl-3-methylpyridine
CID 143666243
3-dodecyl-4-ethenylpyridine
CID 23503907
ethyl 2-[4-(trifluoromethyl)-3-pyridinyl]ethanesulfonate
CID 156696090
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
1-[4-(trifluoromethyl)-3-pyridinyl]nonylhydrazine
CID 102710491
4-octylpyridine-3-carbonitrile
CID 102497290
3-methoxy-4-pentylpyridine
CID 170214218
4-hexylpyridine-3-carboxylic acid
CID 54526352

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-heptyl-4-(trifluoromethyl)pyridine (CID 130384281) is 3-heptyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-heptyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-heptyl-4-(trifluoromethyl)pyridine is CCCCCCCc1cnccc1C(F)(F)F.
What is the InChIKey of 3-heptyl-4-(trifluoromethyl)pyridine?
The InChIKey is FRRBVGKXOQFJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-2-3-4-5-6-7-11-10-17-9-8-12(11)13(14,15)16/h8-10H,2-7H2,1H3.
What are the key properties of 3-heptyl-4-(trifluoromethyl)pyridine?
3-heptyl-4-(trifluoromethyl)pyridine has a molecular weight of 245.29 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 130384281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).