1-ethyl-3-methyl-2H-pyridine;fluoroform

C9H14F3N — CID 157346489

IUPAC1-ethyl-3-methyl-2H-pyridine;fluoroform
SMILESCCN1C=CC=C(C)C1.FC(F)F
InChIInChI=1S/C8H13N.CHF3/c1-3-9-6-4-5-8(2)7-9;2-1(3)4/h4-6H,3,7H2,1-2H3;1H
InChIKeyBHALDCKUMKQAFP-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.96
Rot. Bonds1

About 1-ethyl-3-methyl-2H-pyridine;fluoroform

1-ethyl-3-methyl-2H-pyridine;fluoroform (PubChem CID 157346489) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2H-pyridine;fluoroform.

Molecular Properties

Compound Name1-ethyl-3-methyl-2H-pyridine;fluoroform
PubChem CID157346489
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-ethyl-3-methyl-2H-pyridine;fluoroform
SMILESCCN1C=CC=C(C)C1.FC(F)F
InChIInChI=1S/C8H13N.CHF3/c1-3-9-6-4-5-8(2)7-9;2-1(3)4/h4-6H,3,7H2,1-2H3;1H
InChIKeyBHALDCKUMKQAFP-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2H-pyridine;fluoroform?
The IUPAC name of 1-ethyl-3-methyl-2H-pyridine;fluoroform (CID 157346489) is 1-ethyl-3-methyl-2H-pyridine;fluoroform.
What is the SMILES notation for 1-ethyl-3-methyl-2H-pyridine;fluoroform?
The canonical SMILES for 1-ethyl-3-methyl-2H-pyridine;fluoroform is CCN1C=CC=C(C)C1.FC(F)F.
What is the InChIKey of 1-ethyl-3-methyl-2H-pyridine;fluoroform?
The InChIKey is BHALDCKUMKQAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.CHF3/c1-3-9-6-4-5-8(2)7-9;2-1(3)4/h4-6H,3,7H2,1-2H3;1H.
What are the key properties of 1-ethyl-3-methyl-2H-pyridine;fluoroform?
1-ethyl-3-methyl-2H-pyridine;fluoroform has a molecular weight of 193.21 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2H-pyridine;fluoroform is sourced from PubChem (CID 157346489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).