4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine

C12H15FN2 — CID 155727312

IUPAC4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine
SMILES[H]/N=c1\cc(C2CCC2)c(F)cn1/C=C\C
InChIInChI=1S/C12H15FN2/c1-2-6-15-8-11(13)10(7-12(15)14)9-4-3-5-9/h2,6-9,14H,3-5H2,1H3/b6-2-,14-12+
InChIKeyJTTPFIPXSIMZSU-QWBIDQNUSA-N
MW206.26 g/mol
LogP2.86
Rot. Bonds2

About 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine

4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine (PubChem CID 155727312) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine.

Molecular Properties

Compound Name4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine
PubChem CID155727312
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine
SMILES[H]/N=c1\cc(C2CCC2)c(F)cn1/C=C\C
InChIInChI=1S/C12H15FN2/c1-2-6-15-8-11(13)10(7-12(15)14)9-4-3-5-9/h2,6-9,14H,3-5H2,1H3/b6-2-,14-12+
InChIKeyJTTPFIPXSIMZSU-QWBIDQNUSA-N
XLogP2.86
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,4E)-3-cyclobutyl-4-fluoro-N'-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide
CID 155349838
4-Fluoro-1-methyl-5-propylpyridin-2-imine
CID 177040425
1-Methyl-5-(3-methylbuta-1,3-dien-2-yl)pyridin-2-imine
CID 132050965
4-Cyclopropyl-1-methylpyridin-2-imine
CID 139498811
1-Methanimidoyl-5-pentan-2-ylpyridin-2-imine
CID 144857480
1-Methanimidoyl-4-propan-2-ylpyridin-2-imine
CID 145187981
ethane;4-propan-2-yl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 168190456
4-propan-2-yl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 168190457

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine?
The IUPAC name of 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine (CID 155727312) is 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine.
What is the SMILES notation for 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine?
The canonical SMILES for 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine is [H]/N=c1\cc(C2CCC2)c(F)cn1/C=C\C.
What is the InChIKey of 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine?
The InChIKey is JTTPFIPXSIMZSU-QWBIDQNUSA-N. The full InChI is InChI=1S/C12H15FN2/c1-2-6-15-8-11(13)10(7-12(15)14)9-4-3-5-9/h2,6-9,14H,3-5H2,1H3/b6-2-,14-12+.
What are the key properties of 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine?
4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine has a molecular weight of 206.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-5-fluoro-1-[(Z)-prop-1-enyl]pyridin-2-imine is sourced from PubChem (CID 155727312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).