3-propyl-2-(trifluoromethyl)pyridine

C9H10F3N — CID 19881646

IUPAC3-propyl-2-(trifluoromethyl)pyridine
SMILESCCCc1cccnc1C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-2-4-7-5-3-6-13-8(7)9(10,11)12/h3,5-6H,2,4H2,1H3
InChIKeyDFMLQBVLQWWQKX-UHFFFAOYSA-N
MW189.18 g/mol
LogP3.05
Rot. Bonds2

About 3-propyl-2-(trifluoromethyl)pyridine

3-propyl-2-(trifluoromethyl)pyridine (PubChem CID 19881646) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 3-propyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-propyl-2-(trifluoromethyl)pyridine
PubChem CID19881646
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name3-propyl-2-(trifluoromethyl)pyridine
SMILESCCCc1cccnc1C(F)(F)F
InChIInChI=1S/C9H10F3N/c1-2-4-7-5-3-6-13-8(7)9(10,11)12/h3,5-6H,2,4H2,1H3
InChIKeyDFMLQBVLQWWQKX-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-propyl-2-(trifluoromethyl)pyridine (CID 19881646) is 3-propyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-propyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-propyl-2-(trifluoromethyl)pyridine is CCCc1cccnc1C(F)(F)F.
What is the InChIKey of 3-propyl-2-(trifluoromethyl)pyridine?
The InChIKey is DFMLQBVLQWWQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-2-4-7-5-3-6-13-8(7)9(10,11)12/h3,5-6H,2,4H2,1H3.
What are the key properties of 3-propyl-2-(trifluoromethyl)pyridine?
3-propyl-2-(trifluoromethyl)pyridine has a molecular weight of 189.18 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 19881646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).