(2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine

C9H12FN — CID 153348284

IUPAC(2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine
SMILESCC/C(C)=C1\C=CC(F)=CN1
InChIInChI=1S/C9H12FN/c1-3-7(2)9-5-4-8(10)6-11-9/h4-6,11H,3H2,1-2H3/b9-7+
InChIKeyDVFMXVVHUIDXEU-VQHVLOKHSA-N
MW153.20 g/mol
LogP2.64
Rot. Bonds1

About (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine

(2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine (PubChem CID 153348284) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine.

Molecular Properties

Compound Name(2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine
PubChem CID153348284
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine
SMILESCC/C(C)=C1\C=CC(F)=CN1
InChIInChI=1S/C9H12FN/c1-3-7(2)9-5-4-8(10)6-11-9/h4-6,11H,3H2,1-2H3/b9-7+
InChIKeyDVFMXVVHUIDXEU-VQHVLOKHSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine?
The IUPAC name of (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine (CID 153348284) is (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine.
What is the SMILES notation for (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine?
The canonical SMILES for (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine is CC/C(C)=C1\C=CC(F)=CN1.
What is the InChIKey of (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine?
The InChIKey is DVFMXVVHUIDXEU-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H12FN/c1-3-7(2)9-5-4-8(10)6-11-9/h4-6,11H,3H2,1-2H3/b9-7+.
What are the key properties of (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine?
(2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine has a molecular weight of 153.20 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butan-2-ylidene-5-fluoro-1H-pyridine is sourced from PubChem (CID 153348284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).