(2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine

C14H18FN — CID 164911391

IUPAC(2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine
SMILESC/C=C1\C(F)=CC(C)=CN1/C=C(\C)C1CC1
InChIInChI=1S/C14H18FN/c1-4-14-13(15)7-10(2)8-16(14)9-11(3)12-5-6-12/h4,7-9,12H,5-6H2,1-3H3/b11-9+,14-4+
InChIKeyIAVHHBSQQYEFBX-YEJROQEPSA-N
MW219.30 g/mol
LogP4.28
Rot. Bonds2

About (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine

(2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine (PubChem CID 164911391) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine.

Molecular Properties

Compound Name(2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine
PubChem CID164911391
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name(2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine
SMILESC/C=C1\C(F)=CC(C)=CN1/C=C(\C)C1CC1
InChIInChI=1S/C14H18FN/c1-4-14-13(15)7-10(2)8-16(14)9-11(3)12-5-6-12/h4,7-9,12H,5-6H2,1-3H3/b11-9+,14-4+
InChIKeyIAVHHBSQQYEFBX-YEJROQEPSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine?
The IUPAC name of (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine (CID 164911391) is (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine.
What is the SMILES notation for (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine?
The canonical SMILES for (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine is C/C=C1\C(F)=CC(C)=CN1/C=C(\C)C1CC1.
What is the InChIKey of (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine?
The InChIKey is IAVHHBSQQYEFBX-YEJROQEPSA-N. The full InChI is InChI=1S/C14H18FN/c1-4-14-13(15)7-10(2)8-16(14)9-11(3)12-5-6-12/h4,7-9,12H,5-6H2,1-3H3/b11-9+,14-4+.
What are the key properties of (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine?
(2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine has a molecular weight of 219.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[(E)-2-cyclopropylprop-1-enyl]-2-ethylidene-3-fluoro-5-methylpyridine is sourced from PubChem (CID 164911391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).