N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine

C10H11FN2 — CID 123683639

IUPACN-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
SMILESC=NC=C(C)N1C=C(F)C=CC1=C
InChIInChI=1S/C10H11FN2/c1-8-4-5-10(11)7-13(8)9(2)6-12-3/h4-7H,1,3H2,2H3
InChIKeyATDDNYVOJPZVBQ-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.74
Rot. Bonds2

About N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine

N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine (PubChem CID 123683639) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
PubChem CID123683639
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC NameN-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine
SMILESC=NC=C(C)N1C=C(F)C=CC1=C
InChIInChI=1S/C10H11FN2/c1-8-4-5-10(11)7-13(8)9(2)6-12-3/h4-7H,1,3H2,2H3
InChIKeyATDDNYVOJPZVBQ-UHFFFAOYSA-N
XLogP2.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine?
The IUPAC name of N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine (CID 123683639) is N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine.
What is the SMILES notation for N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine?
The canonical SMILES for N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine is C=NC=C(C)N1C=C(F)C=CC1=C.
What is the InChIKey of N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine?
The InChIKey is ATDDNYVOJPZVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-8-4-5-10(11)7-13(8)9(2)6-12-3/h4-7H,1,3H2,2H3.
What are the key properties of N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine?
N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine has a molecular weight of 178.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methylidene-1-pyridinyl)prop-1-enyl]methanimine is sourced from PubChem (CID 123683639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).