(2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine

C10H10FN — CID 153377252

IUPAC(2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine
SMILESC=C/C(C)=c1/ncc(F)cc1=C
InChIInChI=1S/C10H10FN/c1-4-7(2)10-8(3)5-9(11)6-12-10/h4-6H,1,3H2,2H3/b10-7+
InChIKeyLQFNZKKXQUQXEI-JXMROGBWSA-N
MW163.19 g/mol
LogP0.99
Rot. Bonds1

About (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine

(2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine (PubChem CID 153377252) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine.

Molecular Properties

Compound Name(2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine
PubChem CID153377252
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name(2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine
SMILESC=C/C(C)=c1/ncc(F)cc1=C
InChIInChI=1S/C10H10FN/c1-4-7(2)10-8(3)5-9(11)6-12-10/h4-6H,1,3H2,2H3/b10-7+
InChIKeyLQFNZKKXQUQXEI-JXMROGBWSA-N
XLogP0.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine?
The IUPAC name of (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine (CID 153377252) is (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine.
What is the SMILES notation for (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine?
The canonical SMILES for (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine is C=C/C(C)=c1/ncc(F)cc1=C.
What is the InChIKey of (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine?
The InChIKey is LQFNZKKXQUQXEI-JXMROGBWSA-N. The full InChI is InChI=1S/C10H10FN/c1-4-7(2)10-8(3)5-9(11)6-12-10/h4-6H,1,3H2,2H3/b10-7+.
What are the key properties of (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine?
(2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine has a molecular weight of 163.19 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine is sourced from PubChem (CID 153377252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).